#------------------------------------------------------------------------------
#$Date: 2025-07-01 13:56:43 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1154 $
#$URL: svn://crystallography.net/testcod/cif/7/20/00/7200043.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7200043
loop_
_publ_author_name
'Logan, Matthew W.'
'Ayad, Suliman'
'Adamson, Jeremy D.'
'Dilbeck, Tristan'
'Hanson, Kenneth'
'Uribe-Romo, Fernando J.'
_publ_section_title
;
 Systematic variation of the optical bandgap in titanium based
 isoreticular metal--organic frameworks for photocatalytic reduction of
 CO2 under blue light
;
_journal_issue                   23
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              11854
_journal_page_last               11863
_journal_paper_doi               10.1039/C7TA00437K
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C1.395 N0.315 O2.415 Ti0.25'
_chemical_formula_weight         71.78
_chemical_name_systematic        MIL-125-NHMe
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_creation_date             2016-12-14T23:54
_audit_creation_method           'created in GSAS-II'
_audit_update_record
;
2017-01-13 deposited with the CCDC.
2017-04-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   18.635(16)
_cell_length_b                   18.635(16)
_cell_length_c                   18.131(14)
_cell_volume                     6296(9)
_computing_structure_refinement
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      300
_diffrn_radiation_polarisn_ratio 2.9(13)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           K\a~1,2~
_pd_block_id                     2016-12-14T23:54|C2|LoganMatt|MiniFlex600
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02000
_pd_meas_2theta_range_max        39.98000
_pd_meas_2theta_range_min        2.00000
_pd_phase_name                   MIL-125-NHMe_1
_pd_proc_2theta_range_inc        0.02000
_pd_proc_2theta_range_max        40.27629
_pd_proc_2theta_range_min        2.29629
_pd_proc_info_datetime           2016-12-14T23:54
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
; Background function: "chebyschev" function with 6 terms:
    2928.983, -210.961, -1335.767, -3579.306, 4729.180, -878.250, 
;
_pd_proc_ls_pref_orient_corr
; Simple spherical harmonic correction Order = 2
    Coefficients:  0:0:C(2,0) = -0.98(10); 
;
_pd_proc_ls_profile_function
; Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L:
  peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W:
  peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L
  U, V, W in (centideg)^2^, X & Y in centideg
    4.7(7)e3, -6.2(17)e2, 52(10), 11(6), -94(9), 0.0679(5), 
  Crystallite size model "isotropic" for MIL-125-NHMe_1 (microns)
  parameters: Size, G/L mix
    0(7), 1.000, 
  Mustrain model "isotropic" for MIL-125-NHMe_1 (10^6^)
    parameters: Mustrain, G/L mix
    1000.000, 1.000, 

;
_pd_proc_ls_prof_R_factor        0.06478
_pd_proc_ls_prof_wR_expected     0.01402
_pd_proc_ls_prof_wR_factor       0.08686
_pd_proc_number_of_points        1900
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   6.262
_refine_ls_matrix_type           full
_refine_ls_number_parameters     39
_refine_ls_R_Fsqd_factor         0.15433
_refine_ls_wR_factor_obs         0.08686
_reflns_d_resolution_high        2.256
_reflns_d_resolution_low         13.177
_reflns_limit_h_max              8
_reflns_limit_h_min              8
_reflns_limit_k_max              0
_reflns_limit_k_min              0
_reflns_limit_l_max              2
_reflns_limit_l_min              2
_reflns_number_total             104
_cod_data_source_file            c7ta00437k2.cif
_cod_data_source_block           C2
_cod_original_cell_volume        6296(15)
_cod_database_code               7200043
_refine_ls_r_f_factor            0.16461
_gsas_proc_ls_prof_r_b_factor    0.05966
_gsas_proc_ls_prof_wr_b_factor   0.07286
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 -x,y,z
6 -y,-x,z
7 x,-y,z
8 y,x,z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 x,-y,-z
14 y,x,-z
15 -x,y,-z
16 -y,-x,-z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2-x,1/2+y,1/2+z
22 1/2-y,1/2-x,1/2+z
23 1/2+x,1/2-y,1/2+z
24 1/2+y,1/2+x,1/2+z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2+x,1/2-y,1/2-z
30 1/2+y,1/2+x,1/2-z
31 1/2-x,1/2+y,1/2-z
32 1/2-y,1/2-x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.29(6) 32
C2 C 0.19291 0.28122 0.28426 0.130 Uiso -3.25(15) 32
N3 N 0.13742 0.31587 0.31910 0.250 Uiso 0.94(28) 32
C4 C 0.60116 0.90098 0.74832 0.130 Uiso 0.58(28) 32
C5 C 0.59591 0.72317 0.51695 0.130 Uiso 0.25(17) 32
C C 0.32953 0.89647 0.77716 0.130 Uiso 1(4)e1 32
Ti6 Ti 0.21437 0.06357 0.50000 0.500 Uiso -0.01(4) 16
O7 O 0.31110 0.05800 0.50000 0.500 Uiso 0.00(6) 16
C8 C 0.46333 0.06514 0.50000 0.500 Uiso 0.23(9) 16
N9 N 0.42348 0.12294 0.50000 0.130 Uiso 0.20(28) 16
O11 O 0.18190 0.00000 0.42650 0.500 Uiso -0.04(5) 16
O12 O 0.10740 0.10740 0.50000 0.250 Uiso -0.12(10) 8
C13 C 0.35070 0.00000 0.50000 0.250 Uiso -1.13(14) 8
C14 C 0.42650 0.00000 0.50000 0.250 Uiso 0.01(15) 8
C15 C 0.19400 0.19400 0.40230 0.500 Uiso 0.25(15) 16
C16 C 0.22250 0.22250 0.32090 0.500 Uiso -0.17(7) 16
O17 O 0.0579(20) 0.05793 0.2889(19) 0.627(27) Uiso 0.255 16
O21 O 0.00000 0.1917(27) 0.1673(18) 0.75(4) Uiso 0.138 16
O22 O 0.00000 0.187(6) 0.00000 0.65(6) Uiso 0.634 8
loop_
_atom_type_symbol
_atom_type_number_in_cell
C 44.64
N 10.08
O 77.275
Ti 8
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_wavelength_id
1.54050 1.0 1
1.54430 0.5000 2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C2 N3 119.97 32_555 1_555 1_555 yes
C2 C2 C16 123.389 32_555 1_555 1_555 yes
N3 C2 C16 116.607 1_555 1_555 1_555 yes
C C4 C 92.109 5_655 1_555 28_656 yes
C4 C C4 3.339 5_655 1_555 26_466 yes
Ti6 Ti6 O7 86.702 7_555 1_555 1_555 yes
Ti6 Ti6 O11 51.011 7_555 1_555 1_555 yes
O7 Ti6 O11 106.536 1_555 1_555 1_555 yes
Ti6 Ti6 O11 51.011 7_555 1_555 11_556 yes
O7 Ti6 O11 106.536 1_555 1_555 11_556 yes
O11 Ti6 O11 90.1 1_555 1_555 11_556 yes
Ti6 O7 C13 127.622 1_555 1_555 1_555 yes
C8 C8 N9 124.584 5_655 1_555 1_555 yes
C8 C8 C14 119.484 5_655 1_555 1_555 yes
N9 C8 C14 115.932 1_555 1_555 1_555 yes
Ti6 O11 Ti6 77.979 1_555 1_555 7_555 yes
O7 C13 O7 111.353 1_555 1_555 7_555 yes
O7 C13 C14 124.324 1_555 1_555 1_555 yes
O7 C13 C14 124.324 7_555 1_555 1_555 yes
C8 C14 C8 121.033 1_555 1_555 7_555 yes
C8 C14 C13 119.484 1_555 1_555 1_555 yes
C8 C14 C13 119.484 7_555 1_555 1_555 yes
O1 C15 O1 129.918 1_555 1_555 8_555 yes
C2 C16 C2 113.204 1_555 1_555 8_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 Ti6 2.01618 1_555 1_555 yes
O1 C15 1.18826 1_555 1_555 yes
C2 C2 1.41712 1_555 32_555 yes
C2 N3 1.37305 1_555 1_555 yes
C2 C16 1.39384 1_555 1_555 yes
N3 C2 1.37305 1_555 1_555 yes
N3 C 1.7927 1_555 21_544 yes
C4 C 1.39601 1_555 5_655 yes
C4 C 1.41013 1_555 28_656 yes
C5 C5 0.61452 1_555 11_556 yes
C N3 1.7927 1_555 21_555 yes
C C4 1.39601 1_555 5_655 yes
C C4 1.41013 1_555 26_466 yes
Ti6 O1 2.01618 1_555 1_555 yes
Ti6 O1 2.01618 1_555 11_556 yes
Ti6 Ti6 2.36946 1_555 7_555 yes
Ti6 O7 1.80557 1_555 1_555 yes
Ti6 O11 1.88298 1_555 1_555 yes
Ti6 O11 1.88298 1_555 11_556 yes
Ti6 O12 2.15422 1_555 1_555 yes
O7 Ti6 1.80557 1_555 1_555 yes
O7 C13 1.30874 1_555 1_555 yes
C8 C8 1.3667 1_555 5_655 yes
C8 N9 1.3083 1_555 1_555 yes
C8 C14 1.39449 1_555 1_555 yes
N9 C8 1.3083 1_555 1_555 yes
O11 Ti6 1.88298 1_555 1_555 yes
O11 Ti6 1.88298 1_555 7_555 yes
O12 Ti6 2.15422 1_555 1_555 yes
O12 Ti6 2.15422 1_555 8_555 yes
C13 O7 1.30874 1_555 1_555 yes
C13 O7 1.30874 1_555 7_555 yes
C13 C14 1.41255 1_555 1_555 yes
C14 C8 1.39449 1_555 1_555 yes
C14 C8 1.39449 1_555 7_555 yes
C14 C13 1.41255 1_555 1_555 yes
C15 O1 1.18826 1_555 1_555 yes
C15 O1 1.18826 1_555 8_555 yes
C15 C16 1.65599 1_555 1_555 yes
C16 C2 1.39384 1_555 1_555 yes
C16 C2 1.39384 1_555 8_555 yes
C16 C15 1.65599 1_555 1_555 yes
loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
15942 0 0 0
16200 0 0 0
16087 0 0 0
16049 0 0 0
16720 0 0 0
17148 0 0 0
16907 0 0 0
16862 0 0 0
16663 0 0 0
16262 0 0 0
16801 0 0 0
17095 0 0 0
16609 0 0 0
16107 0 0 0
16343 0 0 0
16095 0 0 0
16214 0 0 0
15892 0 0 0
15425 0 0 0
15789 0 0 0
15448 0 0 0
14996 0 0 0
14736 0 0 0
14456 0 0 0
14694 0 0 0
14434 0 0 0
13942 0 0 0
14266 0 0 0
14111 0 0 0
13596 0 0 0
13484 0 0 0
13673 0 0 0
13655 0 0 0
13026 0 0 0
13291 0 0 0
13746 0 0 0
13391 0 0 0
13027 0 0 0
12791 0 0 0
12739 0 0 0
12341 0 0 0
12433 0 0 0
12536 0 0 0
12317 0 0 0
12193 0 0 0
11896 0 0 0
11726 0 0 0
11697 0 0 0
11756 0 0 0
11571 0 0 0
11705 0 0 0
11869 0 0 0
11607 0 0 0
11403 0 0 0
11407 0 0 0
11268 0 0 0
11094 0 0 0
11326 0 0 0
11467 0 0 0
11190 0 0 0
11061 0 0 0
11057 0 0 0
10833 0 0 0
10841 0 0 0
10980 0 0 0
10749 0 0 0
10875 0 0 0
10849 0 0 0
10785 0 0 0
10682 0 0 0
10784 0 0 0
10907 0 0 0
10664 0 0 0
10668 0 0 0
10633 0 0 0
10626 0 0 0
10422 0 0 0
10411 0 0 0
10552 0 0 0
10503 0 0 0
10300 0 0 0
10382 0 0 0
10438 0 0 0
10580 0 0 0
10421 0 0 0
9915 0 0 0
9957 0 0 0
10179 0 0 0
9822 0 0 0
9809 0 0 0
10362 0 0 0
10528 0 0 0
10147 0 0 0
10380 0 0 0
10187 0 0 0
9891 0 0 0
9783 0 0 0
10046 0 0 0
10000 0 0 0
10142 0 0 0
9713 10994.11707 10990.91172 0.0001029548
9530 10959.09116 10955.83546 0.0001049318
9871 10924.18142 10920.87415 0.0001013069
9910 10889.38764 10886.02756 0.0001009082
9981 10854.7096 10851.2954 0.0001001904
9868 10852.43059 10816.67744 0.0001013377
9929 10834.65866 10782.1734 0.0001007151
9845 10801.10196 10747.78304 0.0001015744
9905 10767.67901 10713.5061 0.0001009591
10001 10734.39022 10679.34232 0.00009999
9922 10701.23605 10645.29145 0.0001007861
9729 10668.21698 10611.35323 0.0001027855
9741 10635.33354 10577.5274 0.0001026589
9607 10602.58625 10543.81372 0.0001040908
9497 10569.97572 10510.21193 0.0001052964
9774 10537.50255 10476.72178 0.0001023123
10114 10505.16744 10443.343 0.0000988728
9912 10472.97108 10410.07535 0.0001008878
9503 10440.91421 10376.91858 0.0001052299
9822 10408.99765 10343.87243 0.0001018123
9824 10377.22224 10310.93665 0.0001017915
9653 10345.5889 10278.11099 0.0001035947
9542 10314.09857 10245.3952 0.0001047998
9587 10282.75227 10212.78903 0.0001043079
9782 10251.55109 10180.29222 0.0001022286
10041 10220.4962 10147.90452 0.0000995917
9691 10189.58878 10115.62569 0.0001031885
9426 10158.83017 10083.45548 0.0001060895
9569 10128.22175 10051.39363 0.0001045041
9666 10097.76497 10019.4399 0.0001034554
9348 10067.4614 9987.59404 0.0001069748
9582 10037.3127 9955.85579 0.0001043623
9513 10007.32064 9924.22492 0.0001051193
9276 9977.48712 9892.70117 0.0001078051
9512 9947.8141 9861.28429 0.0001051304
9336 9918.30374 9829.97405 0.0001071123
9277 9888.95827 9798.77018 0.0001077935
9454 9859.78018 9767.67246 0.0001057753
9619 9830.77196 9736.68062 0.0001039609
9676 9801.93643 9705.79442 0.0001033485
9535 9773.27649 9675.01362 0.0001048768
9588 9744.79529 9644.33798 0.000104297
9556 9716.4962 9613.76724 0.0001046463
9659 9688.38279 9583.30116 0.0001035304
9658 9660.45896 9552.93951 0.0001035411
9634 9632.72879 9522.68203 0.000103799
9784 9605.19674 9492.52848 0.0001022077
9741 9577.86751 9462.47861 0.0001026589
9521 9550.74628 9432.5322 0.000105031
9468 9523.83851 9402.68898 0.0001056189
9501 9497.15013 9372.94873 0.0001052521
9459 9470.6876 9343.3112 0.0001057194
9548 9444.4578 9313.77614 0.000104734
9348 9418.46822 9284.34332 0.0001069748
9480 9392.727 9255.01249 0.0001054852
9629 9367.243 9225.78342 0.0001038529
9687 9342.02579 9196.65586 0.0001032311
9573 9317.08585 9167.62957 0.0001044605
9485 9292.43461 9138.70432 0.0001054296
9470 9268.08461 9109.87986 0.0001055966
9556 9244.04958 9081.15596 0.0001046463
9723 9220.34468 9052.53238 0.0001028489
9839 9196.98662 9024.00887 0.0001016363
9812 9173.99383 8995.58521 0.000101916
9591 9151.38689 8967.26115 0.0001042644
9555 9129.18867 8939.03645 0.0001046572
9698 9107.42481 8910.91089 0.000103114
9949 9086.12403 8882.88421 0.0001005126
9884 9065.31894 8854.95619 0.0001011736
9792 9045.04657 8827.12659 0.0001021242
9707 9025.34957 8799.39518 0.0001030184
9702 9006.27745 8771.76171 0.0001030715
10010 8987.8889 8744.22595 0.0000999001
9559 8970.25493 8716.78768 0.0001046135
9579 8953.46333 8689.44664 0.000104395
9680 8937.62573 8662.20262 0.0001033058
9885 8922.88729 8635.05537 0.0001011634
9839 8909.44079 8608.00467 0.0001016363
9723 8897.54667 8581.05027 0.0001028489
9705 8887.56116 8554.19195 0.0001030397
9751 8879.97301 8527.42948 0.0001025536
10018 8875.44598 8500.76261 0.0000998203
10086 8874.85746 8474.19113 0.0000991473
10146 8879.31593 8447.71479 0.000098561
10084 8890.14893 8421.33337 0.000099167
10183 8908.88314 8395.04664 0.0000982029
10248 8937.24397 8368.85436 0.00009758
10333 8977.08051 8342.75631 0.0000967773
10187 9030.0208 8316.75225 0.0000981643
10249 9096.88251 8290.84195 0.0000975705
10265 9177.34001 8265.0252 0.0000974184
10634 9270.62581 8239.30175 0.000094038
10329 9376.99447 8213.67137 0.0000968148
10357 9497.70218 8188.13385 0.0000965531
10456 9632.46028 8162.68895 0.0000956389
10904 9777.71445 8137.33644 0.0000917095
10546 9929.65065 8112.0761 0.0000948227
10595 10089.00712 8086.9077 0.0000943841
10694 10259.72956 8061.83102 0.0000935104
10871 10442.01696 8036.84581 0.0000919879
11065 10630.5758 8011.95187 0.0000903751
11153 10822.51202 7987.14896 0.000089662
11147 11022.98501 7962.43687 0.0000897102
11230 11237.8313 7937.81535 0.0000890472
11408 11463.9592 7913.28419 0.0000876578
11992 11694.14582 7888.84317 0.0000833889
11843 11930.08409 7864.49206 0.0000844381
12364 12181.27971 7840.23063 0.00008088
12185 12449.8916 7816.05866 0.0000820681
12995 12727.25052 7791.97594 0.0000769527
13019 13009.78557 7767.98223 0.0000768108
13130 13307.28695 7744.07731 0.0000761615
13337 13627.3661 7720.26096 0.0000749794
13422 13963.00103 7696.53297 0.0000745045
13728 14306.6927 7672.8931 0.0000728438
13889 14666.63764 7649.34113 0.0000719994
14078 15054.02581 7625.87685 0.0000710328
14523 15464.39551 7602.50003 0.0000688563
14906 15888.97096 7579.21046 0.0000670871
15252 16335.15879 7556.00791 0.0000655652
15744 16815.66427 7532.89216 0.0000635163
16111 17327.44209 7509.863 0.0000620694
16896 17863.27152 7486.9202 0.0000591856
17315 18432.52186 7464.06355 0.0000577534
18060 19047.69468 7441.29282 0.000055371
18347 19705.86711 7418.60781 0.0000545048
18992 20405.42124 7396.00828 0.0000526537
19845 21160.64765 7373.49403 0.0000503905
20764 21982.22917 7351.06483 0.0000481603
21496 22870.32103 7328.72047 0.0000465203
22701 23836.14402 7306.46073 0.0000440509
23615 24900.10797 7284.2854 0.000042346
24863 26074.87767 7262.19426 0.0000402204
26735 27378.04903 7240.18709 0.0000374042
28103 28840.34809 7218.26368 0.0000355834
29912 30490.80693 7196.42382 0.0000334314
31788 32360.6895 7174.66728 0.0000314584
34388 34486.53749 7152.99385 0.0000290799
36861 36893.09528 7131.40333 0.0000271289
39943 39583.98375 7109.89549 0.0000250357
43193 42523.97415 7088.47012 0.0000231519
46534 45612.89191 7067.12701 0.0000214897
50008 48669.6104 7045.86595 0.0000199968
52811 51425.31807 7024.68672 0.0000189354
54821 53530.72125 7003.58911 0.0000182412
55058 54570.38444 6982.57291 0.0000181627
55037 54105.7482 6961.63791 0.0000181696
53105 51807.20055 6940.78389 0.0000188306
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2198 2299.01411 2244.22536 0.0004549591
2205 2296.7004 2241.80689 0.0004535147
2262 2295.474 2239.38758 0.0004420866
2290 2295.36442 2236.96745 0.0004366812
2308 2296.41337 2234.54654 0.0004332756
2340 2298.66538 2232.12487 0.0004273504
2306 2302.15585 2229.70249 0.0004336513
2257 2306.8978 2227.27943 0.000443066
2281 2312.86803 2224.85571 0.0004384042
2404 2319.99473 2222.43138 0.0004159734
2402 2328.14733 2220.00646 0.0004163197
2403 2337.13002 2217.581 0.0004161465
2453 2346.68033 2215.15502 0.0004076641
2532 2356.47336 2212.72855 0.0003949447
2530 2366.13159 2210.30164 0.0003952569
2584 2375.24087 2207.87432 0.0003869969
2664 2383.37138 2205.44662 0.0003753754
2717 2390.10245 2203.01857 0.000368053
2806 2395.04913 2200.59021 0.0003563792
2851 2397.88902 2198.16157 0.0003507541
2932 2398.38692 2195.7327 0.0003410641
3001 2396.41542 2193.30361 0.0003332223
2981 2391.96982 2190.87435 0.0003354579
3009 2385.17658 2188.44496 0.0003323363
2937 2376.29426 2186.01546 0.0003404835
2832 2365.70876 2183.58589 0.0003531073
2767 2353.92198 2181.1563 0.0003614022
2689 2341.53671 2178.7267 0.0003718855
2549 2329.23871 2176.29714 0.0003923107
2472 2317.77779 2173.86765 0.0004045307
2443 2307.94865 2171.43827 0.0004093328
2318 2300.57249 2169.00903 0.0004314064
2306 2296.47939 2166.57998 0.0004336513
2253 2296.49045 2164.15113 0.0004438526
2238 2301.39887 2161.72254 0.0004468275
2129 2311.94843 2159.29423 0.0004697041
2113 2328.80804 2156.86625 0.0004732608
2152 2352.54101 2154.43862 0.000464684
2210 2383.56928 2152.01139 0.0004524887
2242 2422.13319 2149.58458 0.0004460303
2225 2468.24898 2147.15824 0.0004494382
2218 2521.66692 2144.73241 0.0004508566
2331 2581.83465 2142.30711 0.0004290004
2395 2647.87086 2139.88238 0.0004175365
2449 2718.55427 2137.45827 0.0004083299
2550 2792.33189 2135.03481 0.0003921569
2539 2867.35059 2132.61203 0.0003938558
2747 2941.51336 2130.18997 0.0003640335
2893 3012.55819 2127.76867 0.0003456619
3066 3078.15957 2125.34817 0.0003261579
3234 3136.04053 2122.92849 0.0003092146
3390 3184.09592 2120.50969 0.0002949853
3509 3220.50861 2118.09179 0.0002849815
3692 3243.85668 2115.67484 0.0002708559
3836 3253.19722 2113.25886 0.0002606882
3897 3248.12313 2110.84391 0.0002566076
3975 3228.7841 2108.43001 0.0002515723
3907 3195.87408 2106.0172 0.0002559509
3900 3150.58396 2103.60553 0.0002564103
3752 3094.52428 2101.19502 0.0002665245
3481 3029.62441 2098.78572 0.0002872738
3287 2958.01904 2096.37766 0.0003042288
3161 2881.92942 2093.97088 0.0003163556
2925 2803.5482 2091.56543 0.0003418803
2816 2724.93751 2089.16133 0.0003551136
2578 2647.94656 2086.75863 0.0003878976
2532 2574.14981 2084.35736 0.0003949447
2445 2504.81136 2081.95756 0.000408998
2290 2440.87126 2079.55928 0.0004366812
2137 2382.95263 2077.16254 0.0004679457
2119 2331.38648 2074.7674 0.0004719207
2116 2286.24733 2072.37388 0.0004725898
2051 2247.39711 2069.98202 0.000487567
2015 2214.53085 2067.59187 0.0004962779
2015 2187.2219 2065.20346 0.0004962779
2017 2164.96265 2062.81683 0.0004957858
1984 2147.1997 2060.43203 0.0005040323
2005 2133.36223 2058.04908 0.0004987531
1984 2122.8835 2055.66803 0.0005040323
1937 2115.21635 2053.28892 0.0005162623
1944 2109.8434 2050.91179 0.0005144033
1955 2106.28344 2048.53667 0.000511509
1964 2104.09505 2046.16361 0.000509165
1976 2102.87876 2043.79265 0.0005060729
1971 2102.27839 2041.42382 0.0005073567
1970 2101.98247 2039.05717 0.0005076142
1922 2101.7259 2036.69273 0.0005202914
1965 2101.29182 2034.33054 0.0005089059
1970 2100.51398 2031.97065 0.0005076142
1985 2099.27903 2029.6131 0.0005037783
2006 2097.52872 2027.25791 0.0004985045
2016 2095.26184 2024.90514 0.0004960317
1997 2092.5356 2022.55483 0.0005007511
2002 2089.46681 2020.20701 0.0004995005
2031 2086.23244 2017.86173 0.0004923683
1986 2083.07052 2015.51902 0.0005035247
2031 2080.28076 2013.17892 0.0004923683
2011 2078.2254 2010.84149 0.000497265
2000 2077.33042 2008.50674 0.0005
1946 2078.08625 2006.17474 0.0005138746
1945 2081.04781 2003.84552 0.0005141388
2011 2086.83276 2001.51911 0.000497265
1992 2096.11716 1999.19556 0.000502008
1975 2109.62605 1996.87492 0.0005063291
1992 2128.11923 1994.55721 0.000502008
2005 2152.36925 1992.24249 0.0004987531
1997 2183.13181 1989.9308 0.0005007511
2014 2221.10809 1987.62216 0.0004965243
1993 2266.89899 1985.31664 0.0005017561
2024 2320.95408 1983.01426 0.0004940711
2066 2383.51668 1980.71507 0.0004840271
2061 2454.56975 1978.41912 0.0004852014
2084 2533.78694 1976.12643 0.0004798464
2107 2620.49415 1973.83706 0.0004746084
2191 2713.64569 1971.55104 0.0004564126
2279 2811.82259 1969.26842 0.0004387889
2358 2913.2537 1966.98925 0.0004240882
2430 3015.86295 1964.71355 0.0004115226
2537 3117.34359 1962.44137 0.0003941663
2631 3215.25312 1960.17276 0.0003800836
2777 3307.13173 1957.90776 0.0003601008
2915 3390.62592 1955.6464 0.0003430532
3125 3463.61877 1953.38874 0.00032
3326 3524.35054 1951.13481 0.0003006615
3461 3571.5221 1948.88466 0.0002889338
3578 3604.37223 1946.63833 0.0002794857
3719 3622.72117 1944.39586 0.0002688895
3754 3626.97713 1942.15729 0.0002663825
3684 3618.10265 1939.92266 0.0002714441
3630 3597.54599 1937.69203 0.0002754821
3590 3567.14025 1935.46543 0.0002785515
3564 3528.98038 1933.2429 0.0002805836
3528 3485.28575 1931.02449 0.0002834467
3552 3438.26144 1928.81024 0.0002815315
3533 3389.96775 1926.6002 0.0002830456
3518 3342.20491 1924.3944 0.0002842524
3634 3296.42663 1922.19289 0.0002751789
3735 3253.67919 1919.99571 0.0002677376
3768 3214.5771 1917.80291 0.0002653928
3768 3179.30872 1915.61453 0.0002653928
3903 3147.67094 1913.43061 0.0002562132
3977 3119.12956 1911.2512 0.0002514458
3986 3092.8968 1909.07634 0.0002508781
4026 3068.02267 1906.90607 0.0002483855
3974 3043.48814 1904.74044 0.0002516356
3907 3018.29746 1902.57949 0.0002559509
3802 2991.56251 1900.42326 0.0002630195
3761 2962.57458 1898.2718 0.0002658867
3745 2930.85723 1896.12516 0.0002670227
3652 2896.20374 1893.98337 0.0002738226
3551 2858.69262 1891.84648 0.0002816108
3513 2818.68257 1889.71453 0.000284657
3395 2776.79239 1887.58758 0.0002945508
3260 2733.86089 1885.46565 0.0003067485
3160 2690.89744 1883.34881 0.0003164557
3120 2649.01951 1881.23708 0.0003205128
2970 2609.38673 1879.13052 0.0003367003
2812 2573.13193 1877.02917 0.0003556188
2809 2541.29279 1874.93308 0.0003559986
2754 2514.75184 1872.84228 0.0003631082
2681 2494.18298 1870.75683 0.0003729952
2576 2480.00962 1868.67677 0.0003881988
2413 2472.37863 1866.60214 0.0004144219
2364 2471.14709 1864.53298 0.0004230118
2339 2475.88762 1862.46935 0.0004275331
2311 2485.90848 1860.41129 0.0004327131
2255 2500.2891 1858.35885 0.000443459
2254 2517.93041 1856.31206 0.0004436557
2193 2537.613 1854.27097 0.0004559964
2126 2558.06655 1852.23563 0.0004703669
2169 2578.03927 1850.20608 0.000461042
2185 2596.36756 1848.18238 0.0004576659
2180 2612.04135 1846.16455 0.0004587156
2194 2624.25529 1844.15266 0.0004557885
2220 2632.45192 1842.14674 0.0004504505
2226 2636.34192 1840.14684 0.0004492363
2206 2635.91163 1838.15301 0.0004533092
2163 2631.40686 1836.16529 0.0004623209
2157 2623.30227 1834.18372 0.0004636069
2138 2612.254 1832.20836 0.0004677268
2097 2599.03968 1830.23925 0.0004768717
2100 2584.49322 1828.27643 0.0004761905
2101 2569.43641 1826.31995 0.0004759638
2087 2554.61438 1824.36986 0.0004791567
2101 2540.63899 1822.4262 0.0004759638
2127 2527.94559 1820.48902 0.0004701457
2068 2516.76437 1818.55837 0.000483559
2081 2507.10923 1816.63428 0.0004805382
2166 2498.78572 1814.71681 0.0004616805
2163 2491.41282 1812.80601 0.0004623209
2203 2484.46095 1810.90191 0.0004539265
2281 2477.29899 1809.00457 0.0004384042
2298 2469.24779 1807.11404 0.000435161
2368 2459.6358 1805.23035 0.0004222973
2441 2447.85156 1803.35356 0.0004096682
2485 2433.3891 1801.48371 0.0004024145
2533 2415.88498 1799.62085 0.0003947888
2645 2395.14234 1797.76502 0.0003780718
2731 2371.1416 1795.91628 0.0003661662
2752 2344.03963 1794.07466 0.0003633721
2768 2314.15591 1792.24022 0.0003612717
2750 2281.94978 1790.41301 0.0003636364
2669 2247.98918 1788.59306 0.0003746722
2641 2212.91613 1786.78043 0.0003786445
2656 2177.40984 1784.97516 0.000376506
2592 2142.15159 1783.17731 0.0003858025
2493 2107.79268 1781.38691 0.0004011231
2409 2074.92874 1779.60402 0.00041511
2320 2044.07953 1777.82869 0.0004310345
2193 2015.67697 1776.06095 0.0004559964
2124 1990.05991 1774.30086 0.0004708098
2060 1967.47536 1772.54846 0.0004854369
2077 1948.0853 1770.80381 0.0004814636
2071 1931.9776 1769.06695 0.0004828585
2020 1919.17939 1767.33792 0.0004950495
2060 1909.67161 1765.61678 0.0004854369
2056 1903.40299 1763.90357 0.0004863813
2043 1900.30235 1762.19835 0.0004894763
2015 1900.28818 1760.50115 0.0004962779
2029 1903.27485 1758.81203 0.0004928536
2045 1909.17467 1757.13103 0.0004889976
1996 1917.89667 1755.4582 0.000501002
1976 1929.34133 1753.7936 0.0005060729
1955 1943.39256 1752.13726 0.000511509
1989 1959.90767 1750.48924 0.0005027652
2020 1978.70639 1748.84958 0.0004950495
1986 1999.55979 1747.21834 0.0005035247
1954 2022.18104 1745.59555 0.0005117707
1943 2046.21881 1743.98128 0.000514668
1890 2071.25404 1742.37556 0.0005291005
1855 2096.80178 1740.77845 0.0005390836
1939 2122.31835 1739.18999 0.0005157298
1928 2147.21364 1737.61024 0.0005186722
1940 2170.868 1736.03923 0.0005154639
2024 2192.65486 1734.47703 0.0004940711
2078 2211.96506 1732.92367 0.000481232
2132 2228.23445 1731.37921 0.0004690432
2195 2240.97056 1729.8437 0.0004555809
2181 2249.77782 1728.31718 0.0004585053
2178 2254.37904 1726.7997 0.0004591368
2220 2254.6324 1725.29132 0.0004504505
2270 2250.54015 1723.79208 0.0004405286
2308 2242.25205 1722.30202 0.0004332756
2308 2230.05864 1720.82121 0.0004332756
2273 2214.37888 1719.34968 0.0004399472
2234 2195.73978 1717.88749 0.0004476276
2257 2174.75077 1716.43468 0.000443066
2192 2152.07388 1714.99131 0.0004562044
2130 2128.39202 1713.55743 0.0004694836
2094 2104.37711 1712.13307 0.0004775549
2084 2080.6602 1710.7183 0.0004798464
2051 2057.8043 1709.31317 0.000487567
1963 2036.28314 1707.91771 0.0005094244
1901 2016.46489 1706.53198 0.0005260389
1885 1998.60337 1705.15604 0.000530504
1904 1982.83448 1703.78992 0.0005252101
1937 1969.18038 1702.43369 0.0005162623
1925 1957.55792 1701.08738 0.0005194805
1921 1947.79265 1699.75105 0.0005205622
1999 1939.63605 1698.42475 0.0005002501
2031 1932.78499 1697.10852 0.0004923683
2054 1926.90234 1695.80243 0.0004868549
2084 1921.63779 1694.50651 0.0004798464
2136 1916.64661 1693.22082 0.0004681648
2241 1911.60795 1691.9454 0.0004462294
2298 1906.23848 1690.68032 0.000435161
2305 1900.30459 1689.42561 0.0004338395
2345 1893.63007 1688.18132 0.0004264392
2364 1886.10063 1686.94751 0.0004230118
2342 1877.6651 1685.72423 0.0004269855
2401 1868.33321 1684.51153 0.0004164931
2330 1858.17113 1683.30946 0.0004291845
2252 1847.29452 1682.11806 0.0004440497
2212 1835.85999 1680.93739 0.0004520796
2111 1824.05596 1679.76749 0.0004737091
2040 1812.09233 1678.60843 0.0004901961
2034 1800.19103 1677.46024 0.0004916421
1928 1788.57681 1676.32299 0.0005186722
1833 1777.46869 1675.19671 0.0005455537
1821 1767.07307 1674.08146 0.0005491488
1766 1757.57763 1672.97729 0.0005662514
1711 1749.14691 1671.88425 0.0005844535
1706 1741.91873 1670.8024 0.0005861665
1685 1736.00205 1669.73178 0.0005934718
1698 1731.47541 1668.67243 0.0005889282
1688 1728.38621 1667.62443 0.0005924171
1659 1726.75053 1666.5878 0.0006027728
1625 1726.55315 1665.56262 0.0006153846
1659 1727.74805 1664.54891 0.0006027728
1705 1730.25906 1663.54675 0.0005865103
1663 1733.98088 1662.55617 0.0006013229
1612 1738.78058 1661.57723 0.0006203474
1619 1744.49958 1660.60998 0.0006176652
1619 1750.95659 1659.65447 0.0006176652
1611 1757.95107 1658.71075 0.0006207325
1623 1765.2681 1657.77887 0.0006161429
1623 1772.68398 1656.85888 0.0006161429
1649 1779.97261 1655.95084 0.0006064281
1630 1786.91322 1655.0548 0.0006134969
1684 1793.29793 1654.1708 0.0005938242
1682 1798.93977 1653.2989 0.0005945303
1678 1803.68051 1652.43915 0.0005959476
1714 1807.39731 1651.59161 0.0005834306
1661 1810.0088 1650.75631 0.000602047
1664 1811.47917 1649.93331 0.0006009615
1627 1811.82017 1649.12268 0.0006146281
1618 1811.09164 1648.32444 0.000618047
1682 1809.39907 1647.53867 0.0005945303
1689 1806.88972 1646.7654 0.0005920663
1683 1803.74596 1646.0047 0.0005941771
1615 1800.17793 1645.2566 0.000619195
1629 1796.41427 1644.52117 0.0006138735
1638 1792.69278 1643.79846 0.0006105006
1612 1789.25061 1643.08851 0.0006203474
1645 1786.31498 1642.39139 0.0006079027
1640 1784.0952 1641.70713 0.0006097561
1695 1782.7757 1641.03579 0.0005899705
1729 1782.51095 1640.37743 0.000578369
1729 1783.42237 1639.7321 0.000578369
1694 1785.5971 1639.09984 0.0005903188
1678 1789.08874 1638.48071 0.0005959476
1724 1793.91972 1637.87477 0.0005800464
1765 1800.08507 1637.28205 0.0005665722
1737 1807.55687 1636.70263 0.0005757052
1725 1816.28966 1636.13654 0.0005797101
1766 1826.22529 1635.58384 0.0005662514
1775 1837.29764 1635.04458 0.0005633803
1761 1849.43637 1634.51881 0.0005678592
1807 1862.56921 1634.0066 0.0005534034
1791 1876.62353 1633.50797 0.0005583473
1823 1891.52553 1633.023 0.0005485464
1801 1907.19873 1632.55173 0.0005552471
1751 1923.5611 1632.09422 0.0005711022
1745 1940.5212 1631.65051 0.0005730659
1701 1957.97423 1631.22067 0.0005878895
1722 1975.79737 1630.80473 0.0005807201
1720 1993.84689 1630.40276 0.0005813953
1721 2011.95541 1630.0148 0.0005810575
1732 2029.93046 1629.64091 0.0005773672
1785 2047.55588 1629.28115 0.0005602241
1723 2064.59401 1628.93556 0.0005803831
1690 2080.7905 1628.60419 0.000591716
1655 2095.88012 1628.2871 0.0006042296
1734 2109.59561 1627.98434 0.0005767013
1721 2121.67578 1627.69597 0.0005810575
1747 2131.87477 1627.42203 0.0005724098
1777 2139.97246 1627.16259 0.0005627462
1800 2145.78267 1626.91768 0.0005555556
1790 2149.16083 1626.68737 0.0005586592
1854 2150.01075 1626.4717 0.0005393743
1929 2148.28818 1626.27074 0.0005184033
2025 2144.00392 1626.08452 0.0004938272
2075 2137.22313 1625.91312 0.0004819277
2124 2128.06337 1625.75657 0.0004708098
2117 2116.69117 1625.61493 0.0004723666
2143 2103.31604 1625.48825 0.0004666356
2186 2088.18374 1625.37659 0.0004574565
2170 2071.56899 1625.28001 0.0004608295
2120 2053.76736 1625.19854 0.0004716981
2125 2035.08766 1625.13225 0.0004705882
2117 2015.84437 1625.08119 0.0004723666
2041 1996.35081 1625.04541 0.0004899559
2071 1976.91364 1625.02496 0.0004828585
1992 1957.82778 1625.0199 0.000502008
1898 1939.37277 1625.03028 0.0005268704
1899 1921.81003 1625.05616 0.0005265929
1898 1905.38107 1625.09758 0.0005268704
1908 1890.30637 1625.1546 0.000524109
1891 1876.78506 1625.22728 0.0005288207
1851 1864.9947 1625.31566 0.0005402485
1847 1855.09147 1625.4198 0.0005414185
1805 1847.21042 1625.53975 0.0005540166
1825 1841.46577 1625.67557 0.0005479452
1835 1837.95073 1625.82731 0.0005449591
1827 1836.73748 1625.99502 0.0005473454
1806 1837.87683 1626.17876 0.0005537099
1787 1841.3976 1626.37858 0.0005595971
1865 1847.30584 1626.59453 0.000536193
1812 1855.58411 1626.82666 0.0005518764
1811 1866.19038 1627.07504 0.0005521811
1849 1879.05721 1627.3397 0.0005408329
1926 1894.09093 1627.62072 0.0005192108
1951 1911.17102 1627.91813 0.0005125577
1974 1930.14963 1628.232 0.0005065856
2022 1950.85193 1628.56237 0.0004945598
2096 1973.07651 1628.9093 0.0004770992
2147 1996.59703 1629.27285 0.0004657662
2173 2021.16409 1629.65306 0.0004601933
2225 2046.5086 1630.05 0.0004494382
2153 2072.34605 1630.46371 0.0004644682
2257 2098.3816 1630.89424 0.000443066
2213 2124.31648 1631.34166 0.0004518753
2232 2149.8552 1631.80602 0.0004480287
2167 2174.71335 1632.28736 0.0004614675
2153 2198.6251 1632.78575 0.0004644682
2142 2221.35213 1633.30123 0.0004668534
2106 2242.69053 1633.83386 0.0004748338
2138 2262.47613 1634.3837 0.0004677268
2171 2280.58989 1634.95079 0.0004606172
2127 2296.95954 1635.5352 0.0004701457
2124 2311.55942 1636.13697 0.0004708098
2095 2324.40765 1636.75616 0.000477327
2135 2335.56031 1637.39282 0.0004683841
2173 2345.10366 1638.04701 0.0004601933
2130 2353.14329 1638.71878 0.0004694836
2119 2359.79348 1639.40818 0.0004719207
2098 2365.16486 1640.11527 0.0004766444
2112 2369.35175 1640.84011 0.0004734848
2072 2372.42298 1641.58274 0.0004826255
1989 2374.41125 1642.34322 0.0005027652
1982 2375.30877 1643.1216 0.0005045409
1987 2375.064 1643.91794 0.0005032713
2002 2373.58224 1644.7323 0.0004995005
2037 2370.73098 1645.56472 0.000490918
2064 2366.34724 1646.41526 0.0004844961
2146 2360.24923 1647.28397 0.0004659832
2082 2352.24894 1648.17091 0.0004803074
2155 2342.16678 1649.07614 0.0004640371
2179 2329.84639 1649.99969 0.0004589261
2231 2315.16863 1650.94164 0.0004482295
2294 2298.06361 1651.90204 0.0004359198
2299 2278.52051 1652.88093 0.0004349717
2363 2256.59412 1653.87837 0.0004231909
2351 0 0 0.0004253509
