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#$Date: 2025-07-01 14:19:17 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1225 $
#$URL: svn://crystallography.net/testcod/cif/4/10/00/4100011.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_4100011
loop_
_publ_author_name
'Mork, Benjamin V.'
'Tilley, T. Don'
'Schultz, Arthur J.'
'Cowan, John A.'
_publ_section_title
;
 Silylene Hydride Complexes of Molybdenum with Silicon−Hydrogen
 Interactions:  Neutron Structure of
 (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)
;
_journal_issue                   33
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10428
_journal_page_last               10440
_journal_paper_doi               10.1021/ja040026g
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C18 H37 Mo P2 Si'
_chemical_formula_weight         439.45
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 109.383(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.7648(9)
_cell_length_b                   13.7145(14)
_cell_length_c                   9.8113(10)
_cell_measurement_reflns_used    2831
_cell_measurement_temperature    171(1)
_cell_measurement_theta_max      45
_cell_measurement_theta_min      4
_cell_volume                     1112.5(2)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    SHELXP
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      171(1)
_diffrn_measurement_device       SMART
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5024
_diffrn_reflns_theta_max         25.58
_diffrn_reflns_theta_min         2.20
_exptl_absorpt_coefficient_mu    0.784
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   'empirical, SADABS'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_description       block
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.810
_refine_diff_density_min         -1.475
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.059
_refine_ls_goodness_of_fit_obs   1.117
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         1951
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_restrained_S_obs      1.117
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_obs          0.0481
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w=1/[\s^2^(Fo^2^)+(0.0866P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.1302
_refine_ls_wR_factor_obs         0.1248
_reflns_number_observed          1625
_reflns_number_total             1951
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja040026g.cif
_cod_data_source_block           compound_4a
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               4100011
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-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_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mo1 Mo 0.20837(5) 0.2500 0.16806(5) 0.0244(2) Uani 1 d S .
Si1 Si 0.0003(2) 0.2500 -0.0516(2) 0.0441(6) Uani 1 d S .
P1 P 0.07305(14) 0.14228(10) 0.27961(13) 0.0367(4) Uani 1 d . .
C1 C 0.4741(6) 0.2500 0.3247(7) 0.0327(15) Uani 1 d S .
C2 C 0.4523(5) 0.1664(3) 0.2343(5) 0.0318(10) Uani 1 d . .
C3 C 0.4241(4) 0.1985(3) 0.0916(4) 0.0238(9) Uani 1 d . .
C4 C 0.5404(8) 0.2500 0.4895(7) 0.053(2) Uani 1 d S .
H4A H 0.5430(8) 0.3156 0.5243(7) 0.080 Uiso 0.50 calc PR .
H4B H 0.6478(8) 0.2235 0.5214(7) 0.080 Uiso 0.50 calc PR .
H4C H 0.4720(8) 0.2109 0.5263(7) 0.080 Uiso 0.50 calc PR .
C5 C 0.4900(7) 0.0613(4) 0.2820(6) 0.0502(14) Uani 1 d . .
H5A H 0.4923(44) 0.0543(7) 0.3800(14) 0.075 Uiso 1 calc R .
H5B H 0.5935(22) 0.0437(9) 0.2758(39) 0.075 Uiso 1 calc R .
H5C H 0.4082(26) 0.0194(4) 0.2204(25) 0.075 Uiso 1 calc R .
C6 C 0.4147(5) 0.1326(3) -0.0355(5) 0.0355(11) Uani 1 d . .
H6A H 0.3449(31) 0.0784(13) -0.0368(21) 0.053 Uiso 1 calc R .
H6B H 0.5209(8) 0.1090(19) -0.0259(18) 0.053 Uiso 1 calc R .
H6C H 0.3724(36) 0.1687(7) -0.1239(6) 0.053 Uiso 1 calc R .
C7 C 0.1851(14) 0.0517(9) 0.4225(13) 0.058(3) Uiso 0.50 d P .
H7A H 0.1902(14) -0.0100(9) 0.3779(13) 0.087 Uiso 0.50 calc PR .
H7B H 0.1294(14) 0.0439(9) 0.4911(13) 0.087 Uiso 0.50 calc PR .
H7C H 0.2928(14) 0.0750(9) 0.4711(13) 0.087 Uiso 0.50 calc PR .
C7X C 0.1814(11) 0.1027(7) 0.4603(10) 0.033(2) Uiso 0.50 d P .
H7X H 0.2742(11) 0.0654(7) 0.4605(10) 0.050 Uiso 0.50 calc PR .
H7X2 H 0.1120(11) 0.0629(7) 0.4951(10) 0.050 Uiso 0.50 calc PR .
H7X3 H 0.2159(11) 0.1585(7) 0.5219(10) 0.050 Uiso 0.50 calc PR .
C8 C -0.0497(9) 0.0424(4) 0.1792(7) 0.077(2) Uani 1 d . .
H8A H 0.0172(14) -0.0017(20) 0.1480(48) 0.115 Uiso 1 calc R .
H8B H -0.1331(39) 0.0678(5) 0.0963(32) 0.115 Uiso 1 calc R .
H8C H -0.0980(51) 0.0084(24) 0.2400(19) 0.115 Uiso 1 calc R .
C9X C -0.1060(12) 0.2917(7) 0.3160(12) 0.037(2) Uiso 0.50 d P .
H9X1 H -0.1413(12) 0.3290(7) 0.3841(12) 0.044 Uiso 0.50 calc PR .
H9X2 H -0.1964(12) 0.2855(7) 0.2268(12) 0.044 Uiso 0.50 calc PR .
C9 C -0.0504(17) 0.1939(10) 0.3760(16) 0.067(4) Uiso 0.50 d P .
H9A H -0.1428(17) 0.1522(10) 0.3659(16) 0.080 Uiso 0.50 calc PR .
H9B H 0.0118(17) 0.1992(10) 0.4779(16) 0.080 Uiso 0.50 calc PR .
C10 C 0.0191(9) 0.2500 -0.2386(7) 0.050(2) Uani 1 d S .
H10A H -0.0865(9) 0.2500 -0.3107(7) 0.075 Uiso 1 d SR .
H10B H 0.0771(9) 0.3072 -0.2498(7) 0.075 Uiso 1 d R .
C11 C -0.2277(8) 0.2500 -0.1030(8) 0.055(2) Uani 1 d S .
H11A H -0.2762(8) 0.2500 -0.2063(8) 0.083 Uiso 1 d SR .
H11B H -0.2613(8) 0.1929 -0.0641(8) 0.083 Uiso 1 d R .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
_geom_angle_publ_flag
Si1 Mo1 C2 128.94(12) . . ?
Si1 Mo1 C2 128.94(12) . 4_565 ?
C2 Mo1 C2 59.2(2) . 4_565 ?
Si1 Mo1 C1 157.1(2) . . ?
C2 Mo1 C1 35.65(14) . . ?
C2 Mo1 C1 35.65(14) 4_565 . ?
Si1 Mo1 C3 99.82(11) . . ?
C2 Mo1 C3 35.01(15) . . ?
C2 Mo1 C3 58.41(15) 4_565 . ?
C1 Mo1 C3 58.5(2) . . ?
Si1 Mo1 C3 99.82(11) . 4_565 ?
C2 Mo1 C3 58.41(15) . 4_565 ?
C2 Mo1 C3 35.01(15) 4_565 4_565 ?
C1 Mo1 C3 58.5(2) . 4_565 ?
C3 Mo1 C3 34.8(2) . 4_565 ?
Si1 Mo1 P1 93.98(5) . 4_565 ?
C2 Mo1 P1 137.08(12) . 4_565 ?
C2 Mo1 P1 96.79(11) 4_565 4_565 ?
C1 Mo1 P1 103.84(13) . 4_565 ?
C3 Mo1 P1 155.03(11) . 4_565 ?
C3 Mo1 P1 122.35(10) 4_565 4_565 ?
Si1 Mo1 P1 93.98(5) . . ?
C2 Mo1 P1 96.79(11) . . ?
C2 Mo1 P1 137.08(12) 4_565 . ?
C1 Mo1 P1 103.84(13) . . ?
C3 Mo1 P1 122.35(10) . . ?
C3 Mo1 P1 155.03(11) 4_565 . ?
P1 Mo1 P1 76.87(6) 4_565 . ?
C11 Si1 C10 99.5(3) . . ?
C11 Si1 Mo1 133.2(3) . . ?
C10 Si1 Mo1 127.3(2) . . ?
C7X P1 C9 79.3(6) . . ?
C7X P1 C8 109.4(4) . . ?
C9 P1 C8 103.3(5) . . ?
C7X P1 C7 24.9(4) . . ?
C9 P1 C7 97.1(6) . . ?
C8 P1 C7 88.6(5) . . ?
C7X P1 C9X 98.9(5) . 4_565 ?
C9 P1 C9X 19.7(5) . 4_565 ?
C8 P1 C9X 94.7(4) . 4_565 ?
C7 P1 C9X 115.0(5) . 4_565 ?
C7X P1 Mo1 117.5(3) . . ?
C9 P1 Mo1 118.4(4) . . ?
C8 P1 Mo1 121.0(2) . . ?
C7 P1 Mo1 122.4(4) . . ?
C9X P1 Mo1 110.6(3) 4_565 . ?
C2 C1 C2 107.3(5) . 4_565 ?
C2 C1 C4 125.8(3) . . ?
C2 C1 C4 125.8(3) 4_565 . ?
C2 C1 Mo1 72.0(3) . . ?
C2 C1 Mo1 72.0(3) 4_565 . ?
C4 C1 Mo1 130.2(4) . . ?
C3 C2 C1 108.1(4) . . ?
C3 C2 C5 123.5(4) . . ?
C1 C2 C5 127.0(4) . . ?
C3 C2 Mo1 74.1(2) . . ?
C1 C2 Mo1 72.4(3) . . ?
C5 C2 Mo1 129.9(3) . . ?
C2 C3 C3 108.2(3) . 4_565 ?
C2 C3 C6 124.9(4) . . ?
C3 C3 C6 126.5(2) 4_565 . ?
C2 C3 Mo1 70.9(2) . . ?
C3 C3 Mo1 72.61(10) 4_565 . ?
C6 C3 Mo1 127.4(3) . . ?
C1 C4 H4A 109.47(4) . . ?
C1 C4 H4B 109.5(3) . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5(3) . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5(3) . . ?
C2 C5 H5B 109.5(3) . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5(3) . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5(2) . . ?
C3 C6 H6B 109.5(2) . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5(2) . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P1 C7 H7A 109.5(4) . . ?
P1 C7 H7B 109.5(4) . . ?
H7A C7 H7B 109.5 . . ?
P1 C7 H7C 109.5(4) . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P1 C7X H7X 109.5(3) . . ?
P1 C7X H7X2 109.5(3) . . ?
H7X C7X H7X2 109.5 . . ?
P1 C7X H7X3 109.5(3) . . ?
H7X C7X H7X3 109.5 . . ?
H7X2 C7X H7X3 109.5 . . ?
P1 C8 H8A 109.5(2) . . ?
P1 C8 H8B 109.5(2) . . ?
H8A C8 H8B 109.5 . . ?
P1 C8 H8C 109.5(2) . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C9X P1 108.4(8) . 4_565 ?
C9 C9X H9X1 110.0(7) . . ?
P1 C9X H9X1 110.0(3) 4_565 . ?
C9 C9X H9X2 110.0(6) . . ?
P1 C9X H9X2 110.0(3) 4_565 . ?
H9X1 C9X H9X2 108.4 . . ?
C9X C9 P1 108.9(9) . . ?
C9X C9 H9A 109.9(6) . . ?
P1 C9 H9A 109.9(4) . . ?
C9X C9 H9B 109.9(6) . . ?
P1 C9 H9B 109.9(5) . . ?
H9A C9 H9B 108.3 . . ?
Si1 C10 H10A 109.9(2) . . ?
Si1 C10 H10B 109.26(11) . . ?
H10A C10 H10B 109.5 . . ?
Si1 C11 H11A 109.9(2) . . ?
Si1 C11 H11B 109.27(12) . . ?
H11A C11 H11B 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 Si1 2.315(2) . ?
Mo1 C2 2.321(4) . ?
Mo1 C2 2.321(4) 4_565 ?
Mo1 C1 2.326(5) . ?
Mo1 C3 2.362(4) . ?
Mo1 C3 2.362(4) 4_565 ?
Mo1 P1 2.3767(13) 4_565 ?
Mo1 P1 2.3767(13) . ?
Si1 C11 1.892(7) . ?
Si1 C10 1.896(7) . ?
P1 C7X 1.795(9) . ?
P1 C9 1.802(13) . ?
P1 C8 1.817(6) . ?
P1 C7 1.887(12) . ?
P1 C9X 1.945(10) 4_565 ?
C1 C2 1.423(6) . ?
C1 C2 1.423(6) 4_565 ?
C1 C4 1.526(9) . ?
C2 C3 1.409(6) . ?
C2 C5 1.518(6) . ?
C3 C3 1.412(8) 4_565 ?
C3 C6 1.520(6) . ?
C4 H4A 0.96 . ?
C4 H4B 0.96 . ?
C4 H4C 0.96 . ?
C5 H5A 0.96 . ?
C5 H5B 0.96 . ?
C5 H5C 0.96 . ?
C6 H6A 0.96 . ?
C6 H6B 0.96 . ?
C6 H6C 0.96 . ?
C7 H7A 0.96 . ?
C7 H7B 0.96 . ?
C7 H7C 0.96 . ?
C7X H7X 0.96 . ?
C7X H7X2 0.96 . ?
C7X H7X3 0.96 . ?
C8 H8A 0.96 . ?
C8 H8B 0.96 . ?
C8 H8C 0.96 . ?
C9X C9 1.480(14) . ?
C9X P1 1.945(10) 4_565 ?
C9X H9X1 0.97 . ?
C9X H9X2 0.97 . ?
C9 H9A 0.97 . ?
C9 H9B 0.97 . ?
C10 H10A 0.96 . ?
C10 H10B 0.96 . ?
C11 H11A 0.96 . ?
C11 H11B 0.96 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Mo1 Si1 C11 140.59(14) . . . . ?
C2 Mo1 Si1 C11 -140.58(14) 4_565 . . . ?
C1 Mo1 Si1 C11 180.0 . . . . ?
C3 Mo1 Si1 C11 162.35(10) . . . . ?
C3 Mo1 Si1 C11 -162.35(10) 4_565 . . . ?
P1 Mo1 Si1 C11 -38.54(3) 4_565 . . . ?
P1 Mo1 Si1 C11 38.54(3) . . . . ?
C2 Mo1 Si1 C10 -39.41(14) . . . . ?
C2 Mo1 Si1 C10 39.42(14) 4_565 . . . ?
C1 Mo1 Si1 C10 0.0 . . . . ?
C3 Mo1 Si1 C10 -17.65(10) . . . . ?
C3 Mo1 Si1 C10 17.65(10) 4_565 . . . ?
P1 Mo1 Si1 C10 141.46(3) 4_565 . . . ?
P1 Mo1 Si1 C10 -141.46(3) . . . . ?
Si1 Mo1 P1 C7X 175.6(4) . . . . ?
C2 Mo1 P1 C7X 45.6(4) . . . . ?
C2 Mo1 P1 C7X -5.4(4) 4_565 . . . ?
C1 Mo1 P1 C7X 10.0(4) . . . . ?
C3 Mo1 P1 C7X 71.3(4) . . . . ?
C3 Mo1 P1 C7X 51.9(4) 4_565 . . . ?
P1 Mo1 P1 C7X -91.3(4) 4_565 . . . ?
Si1 Mo1 P1 C9 -92.0(5) . . . . ?
C2 Mo1 P1 C9 138.0(6) . . . . ?
C2 Mo1 P1 C9 87.0(6) 4_565 . . . ?
C1 Mo1 P1 C9 102.4(6) . . . . ?
C3 Mo1 P1 C9 163.7(6) . . . . ?
C3 Mo1 P1 C9 144.3(6) 4_565 . . . ?
P1 Mo1 P1 C9 1.1(6) 4_565 . . . ?
Si1 Mo1 P1 C8 37.1(3) . . . . ?
C2 Mo1 P1 C8 -92.9(3) . . . . ?
C2 Mo1 P1 C8 -143.9(3) 4_565 . . . ?
C1 Mo1 P1 C8 -128.5(3) . . . . ?
C3 Mo1 P1 C8 -67.2(3) . . . . ?
C3 Mo1 P1 C8 -86.6(4) 4_565 . . . ?
P1 Mo1 P1 C8 130.2(3) 4_565 . . . ?
Si1 Mo1 P1 C7 147.3(5) . . . . ?
C2 Mo1 P1 C7 17.3(5) . . . . ?
C2 Mo1 P1 C7 -33.7(5) 4_565 . . . ?
C1 Mo1 P1 C7 -18.2(5) . . . . ?
C3 Mo1 P1 C7 43.1(5) . . . . ?
C3 Mo1 P1 C7 23.7(6) 4_565 . . . ?
P1 Mo1 P1 C7 -119.5(5) 4_565 . . . ?
Si1 Mo1 P1 C9X -72.1(4) . . . 4_565 ?
C2 Mo1 P1 C9X 157.9(4) . . . 4_565 ?
C2 Mo1 P1 C9X 106.9(4) 4_565 . . 4_565 ?
C1 Mo1 P1 C9X 122.4(4) . . . 4_565 ?
C3 Mo1 P1 C9X -176.3(4) . . . 4_565 ?
C3 Mo1 P1 C9X 164.3(4) 4_565 . . 4_565 ?
P1 Mo1 P1 C9X 21.1(4) 4_565 . . 4_565 ?
Si1 Mo1 C1 C2 -57.9(3) . . . . ?
C2 Mo1 C1 C2 0.0 . . . . ?
C2 Mo1 C1 C2 -115.8(5) 4_565 . . . ?
C3 Mo1 C1 C2 -37.4(3) . . . . ?
C3 Mo1 C1 C2 -78.4(3) 4_565 . . . ?
P1 Mo1 C1 C2 161.9(3) 4_565 . . . ?
P1 Mo1 C1 C2 82.3(3) . . . . ?
Si1 Mo1 C1 C2 57.9(3) . . . 4_565 ?
C2 Mo1 C1 C2 115.8(5) . . . 4_565 ?
C2 Mo1 C1 C2 0.0 4_565 . . 4_565 ?
C3 Mo1 C1 C2 78.4(3) . . . 4_565 ?
C3 Mo1 C1 C2 37.4(3) 4_565 . . 4_565 ?
P1 Mo1 C1 C2 -82.3(3) 4_565 . . 4_565 ?
P1 Mo1 C1 C2 -161.9(3) . . . 4_565 ?
Si1 Mo1 C1 C4 180.000(2) . . . . ?
C2 Mo1 C1 C4 -122.1(3) . . . . ?
C2 Mo1 C1 C4 122.1(3) 4_565 . . . ?
C3 Mo1 C1 C4 -159.49(12) . . . . ?
C3 Mo1 C1 C4 159.49(12) 4_565 . . . ?
P1 Mo1 C1 C4 39.80(4) 4_565 . . . ?
P1 Mo1 C1 C4 -39.80(4) . . . . ?
C2 C1 C2 C3 2.3(6) 4_565 . . . ?
C4 C1 C2 C3 -166.9(5) . . . . ?
Mo1 C1 C2 C3 66.0(3) . . . . ?
C2 C1 C2 C5 169.2(3) 4_565 . . . ?
C4 C1 C2 C5 -0.1(9) . . . . ?
Mo1 C1 C2 C5 -127.1(5) . . . . ?
C2 C1 C2 Mo1 -63.7(4) 4_565 . . . ?
C4 C1 C2 Mo1 127.0(6) . . . . ?
Mo1 C1 C2 Mo1 0.0 . . . . ?
Si1 Mo1 C2 C3 39.5(3) . . . . ?
C2 Mo1 C2 C3 -77.8(3) 4_565 . . . ?
C1 Mo1 C2 C3 -115.4(4) . . . . ?
C3 Mo1 C2 C3 0.0 . . . . ?
C3 Mo1 C2 C3 -36.6(2) 4_565 . . . ?
P1 Mo1 C2 C3 -141.7(2) 4_565 . . . ?
P1 Mo1 C2 C3 140.3(2) . . . . ?
Si1 Mo1 C2 C1 155.0(3) . . . . ?
C2 Mo1 C2 C1 37.7(3) 4_565 . . . ?
C1 Mo1 C2 C1 0.000(1) . . . . ?
C3 Mo1 C2 C1 115.4(4) . . . . ?
C3 Mo1 C2 C1 78.8(3) 4_565 . . . ?
P1 Mo1 C2 C1 -26.3(4) 4_565 . . . ?
P1 Mo1 C2 C1 -104.3(3) . . . . ?
Si1 Mo1 C2 C5 -81.1(5) . . . . ?
C2 Mo1 C2 C5 161.6(4) 4_565 . . . ?
C1 Mo1 C2 C5 124.0(6) . . . . ?
C3 Mo1 C2 C5 -120.6(6) . . . . ?
C3 Mo1 C2 C5 -157.2(5) 4_565 . . . ?
P1 Mo1 C2 C5 97.6(5) 4_565 . . . ?
P1 Mo1 C2 C5 19.6(5) . . . . ?
C1 C2 C3 C3 -1.4(4) . . . 4_565 ?
C5 C2 C3 C3 -168.9(4) . . . 4_565 ?
Mo1 C2 C3 C3 63.46(11) . . . 4_565 ?
C1 C2 C3 C6 172.3(4) . . . . ?
C5 C2 C3 C6 4.9(6) . . . . ?
Mo1 C2 C3 C6 -122.8(4) . . . . ?
C1 C2 C3 Mo1 -64.9(3) . . . . ?
C5 C2 C3 Mo1 127.7(4) . . . . ?
Mo1 C2 C3 Mo1 0.0 . . . . ?
Si1 Mo1 C3 C2 -149.8(2) . . . . ?
C2 Mo1 C3 C2 0.0 . . . . ?
C2 Mo1 C3 C2 80.2(3) 4_565 . . . ?
C1 Mo1 C3 C2 38.1(2) . . . . ?
C3 Mo1 C3 C2 117.1(2) 4_565 . . . ?
P1 Mo1 C3 C2 87.6(3) 4_565 . . . ?
P1 Mo1 C3 C2 -48.7(3) . . . . ?
Si1 Mo1 C3 C3 93.11(4) . . . 4_565 ?
C2 Mo1 C3 C3 -117.1(2) . . . 4_565 ?
C2 Mo1 C3 C3 -36.9(2) 4_565 . . 4_565 ?
C1 Mo1 C3 C3 -78.95(10) . . . 4_565 ?
C3 Mo1 C3 C3 0.0 4_565 . . 4_565 ?
P1 Mo1 C3 C3 -29.5(2) 4_565 . . 4_565 ?
P1 Mo1 C3 C3 -165.76(10) . . . 4_565 ?
Si1 Mo1 C3 C6 -30.0(4) . . . . ?
C2 Mo1 C3 C6 119.9(5) . . . . ?
C2 Mo1 C3 C6 -159.9(4) 4_565 . . . ?
C1 Mo1 C3 C6 158.0(4) . . . . ?
C3 Mo1 C3 C6 -123.1(3) 4_565 . . . ?
P1 Mo1 C3 C6 -152.5(3) 4_565 . . . ?
P1 Mo1 C3 C6 71.2(4) . . . . ?
P1 C9X C9 P1 -41.0(9) 4_565 . . . ?
C7X P1 C9 C9X 141.1(9) . . . . ?
C8 P1 C9 C9X -111.3(8) . . . . ?
C7 P1 C9 C9X 158.4(8) . . . . ?
C9X P1 C9 C9X -45.6(14) 4_565 . . . ?
Mo1 P1 C9 C9X 25.5(10) . . . . ?
