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#$Date: 2025-07-01 14:19:17 +0300 (Tue, 01 Jul 2025) $
#$Revision: 1225 $
#$URL: svn://crystallography.net/testcod/cif/4/10/00/4100015.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_4100015
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            'C28 H46 Mo P2 Si2'
_chemical_formula_weight         596.71
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 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                 95.083(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8943(6)
_cell_length_b                   10.6417(6)
_cell_length_c                   17.5824(7)
_cell_measurement_reflns_used    1568
_cell_measurement_temperature    114(1)
_cell_measurement_theta_max      45
_cell_measurement_theta_min      4
_cell_volume                     2962.2(2)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    SHELX-XP
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      114(1)
_diffrn_measurement_device       SMART
_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  0.1257
_diffrn_reflns_av_sigmaI/netI    0.1492
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10388
_diffrn_reflns_theta_max         21.96
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.47
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_description       plate
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.893
_refine_diff_density_min         -1.257
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.992
_refine_ls_goodness_of_fit_obs   1.090
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         3606
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_restrained_S_obs      1.090
_refine_ls_R_factor_all          0.1509
_refine_ls_R_factor_obs          0.0721
_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^)+(0.1071P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.2114
_refine_ls_wR_factor_obs         0.1685
_reflns_number_observed          1931
_reflns_number_total             3606
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja040026g.cif
_cod_data_source_block           compound_7
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4100015
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.21450(6) 0.25343(9) 0.48847(5) 0.0126(3) Uani 1 d . .
Si1 Si 0.2714(2) 0.2301(3) 0.3609(2) 0.0208(9) Uani 1 d . .
Si2 Si 0.1214(2) 0.4028(3) 0.4067(2) 0.0192(9) Uani 1 d . .
P1 P 0.3592(2) 0.2620(3) 0.5487(2) 0.0174(8) Uani 1 d . .
P2 P 0.2141(2) 0.4347(3) 0.5771(2) 0.0210(9) Uani 1 d . .
C1 C 0.1264(7) 0.1404(10) 0.5718(6) 0.018(3) Uiso 1 d . .
C2 C 0.1981(7) 0.0662(11) 0.5614(7) 0.023(3) Uiso 1 d . .
C3 C 0.1973(7) 0.0305(11) 0.4821(7) 0.027(3) Uiso 1 d . .
C4 C 0.1247(7) 0.0944(10) 0.4425(6) 0.014(3) Uiso 1 d . .
C5 C 0.0814(7) 0.1609(10) 0.4974(6) 0.017(3) Uiso 1 d . .
C6 C 0.0970(8) 0.1642(12) 0.6485(7) 0.033(4) Uiso 1 d . .
H6A H 0.0476(8) 0.2165(12) 0.6434(7) 0.050 Uiso 1 calc R .
H6B H 0.1408(8) 0.2058(12) 0.6801(7) 0.050 Uiso 1 calc R .
H6C H 0.0836(8) 0.0858(12) 0.6716(7) 0.050 Uiso 1 calc R .
C7 C 0.2470(7) -0.0027(12) 0.6255(7) 0.033(4) Uiso 1 d . .
H7A H 0.2931(7) -0.0471(12) 0.6060(7) 0.049 Uiso 1 calc R .
H7B H 0.2106(7) -0.0615(12) 0.6478(7) 0.049 Uiso 1 calc R .
H7C H 0.2687(7) 0.0563(12) 0.6636(7) 0.049 Uiso 1 calc R .
C8 C 0.2487(7) -0.0665(12) 0.4496(7) 0.033(4) Uiso 1 d . .
H8A H 0.2351(7) -0.0702(12) 0.3954(7) 0.050 Uiso 1 calc R .
H8B H 0.2373(7) -0.1464(12) 0.4718(7) 0.050 Uiso 1 calc R .
H8C H 0.3074(7) -0.0464(12) 0.4604(7) 0.050 Uiso 1 calc R .
C9 C 0.0883(8) 0.0636(12) 0.3626(7) 0.039(4) Uiso 1 d . .
H9A H 0.1293(8) 0.0184(12) 0.3365(7) 0.058 Uiso 1 calc R .
H9B H 0.0736(8) 0.1401(12) 0.3356(7) 0.058 Uiso 1 calc R .
H9C H 0.0386(8) 0.0128(12) 0.3649(7) 0.058 Uiso 1 calc R .
C10 C -0.0092(7) 0.2110(10) 0.4857(7) 0.026(3) Uiso 1 d . .
H10A H -0.0233(7) 0.2522(10) 0.5315(7) 0.039 Uiso 1 calc R .
H10B H -0.0474(7) 0.1423(10) 0.4743(7) 0.039 Uiso 1 calc R .
H10C H -0.0136(7) 0.2697(10) 0.4441(7) 0.039 Uiso 1 calc R .
C11 C 0.4323(7) 0.3832(10) 0.5208(7) 0.025(3) Uiso 1 d . .
H11A H 0.4420(7) 0.3723(10) 0.4681(7) 0.037 Uiso 1 calc R .
H11B H 0.4849(7) 0.3761(10) 0.5518(7) 0.037 Uiso 1 calc R .
H11C H 0.4083(7) 0.4647(10) 0.5278(7) 0.037 Uiso 1 calc R .
C12 C 0.4334(7) 0.1270(11) 0.5538(7) 0.030(3) Uiso 1 d . .
H12A H 0.4044(7) 0.0527(11) 0.5683(7) 0.045 Uiso 1 calc R .
H12B H 0.4798(7) 0.1441(11) 0.5911(7) 0.045 Uiso 1 calc R .
H12C H 0.4542(7) 0.1143(11) 0.5048(7) 0.045 Uiso 1 calc R .
C13 C 0.3525(7) 0.3047(11) 0.6493(6) 0.021(3) Uiso 1 d . .
H13A H 0.3237(7) 0.2391(11) 0.6751(6) 0.026 Uiso 1 calc R .
H13B H 0.4087(7) 0.3148(11) 0.6748(6) 0.026 Uiso 1 calc R .
C14 C 0.3031(7) 0.4290(11) 0.6516(7) 0.027(3) Uiso 1 d . .
H14A H 0.3410(7) 0.4987(11) 0.6446(7) 0.033 Uiso 1 calc R .
H14B H 0.2818(7) 0.4382(11) 0.7013(7) 0.033 Uiso 1 calc R .
C15 C 0.2252(8) 0.5950(11) 0.5421(7) 0.033(3) Uiso 1 d . .
H15A H 0.1817(8) 0.6114(11) 0.5019(7) 0.049 Uiso 1 calc R .
H15B H 0.2795(8) 0.6045(11) 0.5229(7) 0.049 Uiso 1 calc R .
H15C H 0.2202(8) 0.6532(11) 0.5831(7) 0.049 Uiso 1 calc R .
C16 C 0.1227(7) 0.4642(11) 0.6332(7) 0.030(3) Uiso 1 d . .
H16A H 0.1070(7) 0.3874(11) 0.6569(7) 0.046 Uiso 1 calc R .
H16B H 0.0759(7) 0.4944(11) 0.5999(7) 0.046 Uiso 1 calc R .
H16C H 0.1377(7) 0.5259(11) 0.6718(7) 0.046 Uiso 1 calc R .
C17 C 0.3854(6) 0.2569(11) 0.3405(6) 0.015(3) Uiso 1 d . .
C18 C 0.4465(7) 0.1618(12) 0.3477(7) 0.027(3) Uiso 1 d . .
H18A H 0.4305(7) 0.0834(12) 0.3648(7) 0.033 Uiso 1 calc R .
C19 C 0.5280(7) 0.1772(11) 0.3312(7) 0.022(3) Uiso 1 d . .
H19A H 0.5658(7) 0.1105(11) 0.3376(7) 0.026 Uiso 1 calc R .
C20 C 0.5543(8) 0.2904(11) 0.3053(7) 0.026(3) Uiso 1 d . .
H20A H 0.6098(8) 0.3005(11) 0.2933(7) 0.031 Uiso 1 calc R .
C21 C 0.4985(7) 0.3897(11) 0.2970(6) 0.019(3) Uiso 1 d . .
H21A H 0.5160(7) 0.4679(11) 0.2808(6) 0.022 Uiso 1 calc R .
C22 C 0.4158(7) 0.3707(11) 0.3132(6) 0.019(3) Uiso 1 d . .
H22A H 0.3781(7) 0.4373(11) 0.3055(6) 0.023 Uiso 1 calc R .
C23 C 0.1621(7) 0.5417(10) 0.3506(6) 0.017(3) Uiso 1 d . .
C24 C 0.2440(7) 0.5823(10) 0.3540(6) 0.017(3) Uiso 1 d . .
H24A H 0.2847(7) 0.5386(10) 0.3848(6) 0.021 Uiso 1 calc R .
C25 C 0.2698(7) 0.6878(11) 0.3130(6) 0.020(3) Uiso 1 d . .
H25A H 0.3263(7) 0.7113(11) 0.3154(6) 0.024 Uiso 1 calc R .
C26 C 0.2087(7) 0.7553(12) 0.2691(7) 0.026(3) Uiso 1 d . .
H26A H 0.2242(7) 0.8263(12) 0.2428(7) 0.031 Uiso 1 calc R .
C27 C 0.1267(7) 0.7189(10) 0.2639(7) 0.023(3) Uiso 1 d . .
H27A H 0.0864(7) 0.7649(10) 0.2341(7) 0.028 Uiso 1 calc R .
C28 C 0.1018(8) 0.6107(11) 0.3038(7) 0.026(3) Uiso 1 d . .
H28A H 0.0456(8) 0.5853(11) 0.2990(7) 0.031 Uiso 1 calc 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
C4 Mo1 C5 35.5(4) . . ?
C4 Mo1 C3 36.2(4) . . ?
C5 Mo1 C3 59.2(4) . . ?
C4 Mo1 C2 59.1(4) . . ?
C5 Mo1 C2 58.3(4) . . ?
C3 Mo1 C2 35.1(4) . . ?
C4 Mo1 C1 58.6(4) . . ?
C5 Mo1 C1 35.3(3) . . ?
C3 Mo1 C1 57.8(4) . . ?
C2 Mo1 C1 34.0(4) . . ?
C4 Mo1 P1 134.9(3) . . ?
C5 Mo1 P1 143.5(3) . . ?
C3 Mo1 P1 99.0(3) . . ?
C2 Mo1 P1 86.7(3) . . ?
C1 Mo1 P1 109.1(3) . . ?
C4 Mo1 P2 138.9(3) . . ?
C5 Mo1 P2 103.4(3) . . ?
C3 Mo1 P2 142.7(3) . . ?
C2 Mo1 P2 107.7(3) . . ?
C1 Mo1 P2 88.4(3) . . ?
P1 Mo1 P2 75.75(11) . . ?
C4 Mo1 Si1 82.8(3) . . ?
C5 Mo1 Si1 114.6(3) . . ?
C3 Mo1 Si1 84.8(3) . . ?
C2 Mo1 Si1 117.5(3) . . ?
C1 Mo1 Si1 139.8(3) . . ?
P1 Mo1 Si1 89.46(11) . . ?
P2 Mo1 Si1 131.36(11) . . ?
C4 Mo1 Si2 87.1(3) . . ?
C5 Mo1 Si2 79.4(3) . . ?
C3 Mo1 Si2 122.6(3) . . ?
C2 Mo1 Si2 137.8(3) . . ?
C1 Mo1 Si2 108.3(3) . . ?
P1 Mo1 Si2 134.59(11) . . ?
P2 Mo1 Si2 80.45(11) . . ?
Si1 Mo1 Si2 78.06(11) . . ?
C17 Si1 Mo1 125.5(4) . . ?
C23 Si2 Mo1 124.6(4) . . ?
C11 P1 C13 100.1(5) . . ?
C11 P1 C12 98.2(5) . . ?
C13 P1 C12 103.6(5) . . ?
C11 P1 Mo1 120.3(4) . . ?
C13 P1 Mo1 107.0(4) . . ?
C12 P1 Mo1 124.1(4) . . ?
C15 P2 C14 100.3(5) . . ?
C15 P2 C16 97.2(6) . . ?
C14 P2 C16 102.5(6) . . ?
C15 P2 Mo1 120.6(4) . . ?
C14 P2 Mo1 112.1(4) . . ?
C16 P2 Mo1 120.7(4) . . ?
C2 C1 C5 107.8(10) . . ?
C2 C1 C6 122.4(10) . . ?
C5 C1 C6 128.5(10) . . ?
C2 C1 Mo1 71.6(7) . . ?
C5 C1 Mo1 69.3(6) . . ?
C6 C1 Mo1 134.9(8) . . ?
C1 C2 C3 109.5(10) . . ?
C1 C2 C7 123.1(11) . . ?
C3 C2 C7 123.7(11) . . ?
C1 C2 Mo1 74.5(7) . . ?
C3 C2 Mo1 72.2(7) . . ?
C7 C2 Mo1 137.2(8) . . ?
C2 C3 C4 106.1(10) . . ?
C2 C3 C8 127.2(11) . . ?
C4 C3 C8 125.9(11) . . ?
C2 C3 Mo1 72.7(7) . . ?
C4 C3 Mo1 69.1(6) . . ?
C8 C3 Mo1 130.7(9) . . ?
C5 C4 C3 108.4(10) . . ?
C5 C4 C9 124.8(10) . . ?
C3 C4 C9 124.5(10) . . ?
C5 C4 Mo1 73.7(6) . . ?
C3 C4 Mo1 74.8(6) . . ?
C9 C4 Mo1 131.2(8) . . ?
C4 C5 C1 107.9(10) . . ?
C4 C5 C10 126.0(10) . . ?
C1 C5 C10 123.7(10) . . ?
C4 C5 Mo1 70.8(6) . . ?
C1 C5 Mo1 75.4(6) . . ?
C10 C5 Mo1 133.3(8) . . ?
C14 C13 P1 108.1(8) . . ?
C13 C14 P2 111.7(8) . . ?
C18 C17 C22 113.4(10) . . ?
C18 C17 Si1 122.7(9) . . ?
C22 C17 Si1 123.8(9) . . ?
C19 C18 C17 124.0(12) . . ?
C18 C19 C20 120.1(12) . . ?
C19 C20 C21 119.8(12) . . ?
C20 C21 C22 118.7(11) . . ?
C21 C22 C17 123.9(11) . . ?
C24 C23 C28 117.0(11) . . ?
C24 C23 Si2 125.7(8) . . ?
C28 C23 Si2 117.2(8) . . ?
C23 C24 C25 123.1(11) . . ?
C26 C25 C24 118.4(11) . . ?
C27 C26 C25 120.7(12) . . ?
C26 C27 C28 120.4(12) . . ?
C23 C28 C27 120.3(11) . . ?
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 C4 2.313(11) . ?
Mo1 C5 2.351(11) . ?
Mo1 C3 2.390(12) . ?
Mo1 C2 2.396(12) . ?
Mo1 C1 2.433(11) . ?
Mo1 P1 2.447(3) . ?
Mo1 P2 2.480(3) . ?
Mo1 Si1 2.504(3) . ?
Mo1 Si2 2.531(3) . ?
Si1 C17 1.900(11) . ?
Si2 C23 1.921(11) . ?
P1 C11 1.831(11) . ?
P1 C13 1.839(12) . ?
P1 C12 1.855(11) . ?
P2 C15 1.826(12) . ?
P2 C14 1.842(11) . ?
P2 C16 1.855(12) . ?
C1 C2 1.412(15) . ?
C1 C5 1.452(14) . ?
C1 C6 1.49(2) . ?
C2 C3 1.44(2) . ?
C2 C7 1.50(2) . ?
C3 C4 1.462(15) . ?
C3 C8 1.46(2) . ?
C4 C5 1.423(15) . ?
C4 C9 1.51(2) . ?
C5 C10 1.532(14) . ?
C13 C14 1.540(15) . ?
C17 C18 1.400(15) . ?
C17 C22 1.404(15) . ?
C18 C19 1.36(2) . ?
C19 C20 1.37(2) . ?
C20 C21 1.379(15) . ?
C21 C22 1.384(14) . ?
C23 C24 1.368(14) . ?
C23 C28 1.413(15) . ?
C24 C25 1.414(15) . ?
C25 C26 1.387(15) . ?
C26 C27 1.355(15) . ?
C27 C28 1.42(2) . ?
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
C4 Mo1 Si1 C17 -148.1(5) . . . . ?
C5 Mo1 Si1 C17 -164.3(5) . . . . ?
C3 Mo1 Si1 C17 -111.7(5) . . . . ?
C2 Mo1 Si1 C17 -98.6(6) . . . . ?
C1 Mo1 Si1 C17 -132.3(6) . . . . ?
P1 Mo1 Si1 C17 -12.7(5) . . . . ?
P2 Mo1 Si1 C17 57.7(5) . . . . ?
Si2 Mo1 Si1 C17 123.4(5) . . . . ?
C4 Mo1 Si2 C23 -140.9(5) . . . . ?
C5 Mo1 Si2 C23 -175.8(5) . . . . ?
C3 Mo1 Si2 C23 -133.4(5) . . . . ?
C2 Mo1 Si2 C23 -175.6(6) . . . . ?
C1 Mo1 Si2 C23 163.6(5) . . . . ?
P1 Mo1 Si2 C23 19.6(5) . . . . ?
P2 Mo1 Si2 C23 78.5(4) . . . . ?
Si1 Mo1 Si2 C23 -57.6(4) . . . . ?
C4 Mo1 P1 C11 137.6(6) . . . . ?
C5 Mo1 P1 C11 -168.2(6) . . . . ?
C3 Mo1 P1 C11 142.9(5) . . . . ?
C2 Mo1 P1 C11 175.9(5) . . . . ?
C1 Mo1 P1 C11 -158.1(5) . . . . ?
P2 Mo1 P1 C11 -74.8(5) . . . . ?
Si1 Mo1 P1 C11 58.3(5) . . . . ?
Si2 Mo1 P1 C11 -14.2(5) . . . . ?
C4 Mo1 P1 C13 -109.3(5) . . . . ?
C5 Mo1 P1 C13 -55.2(6) . . . . ?
C3 Mo1 P1 C13 -104.0(5) . . . . ?
C2 Mo1 P1 C13 -71.0(5) . . . . ?
C1 Mo1 P1 C13 -45.0(5) . . . . ?
P2 Mo1 P1 C13 38.2(4) . . . . ?
Si1 Mo1 P1 C13 171.4(4) . . . . ?
Si2 Mo1 P1 C13 98.8(4) . . . . ?
C4 Mo1 P1 C12 11.0(7) . . . . ?
C5 Mo1 P1 C12 65.1(7) . . . . ?
C3 Mo1 P1 C12 16.3(6) . . . . ?
C2 Mo1 P1 C12 49.3(6) . . . . ?
C1 Mo1 P1 C12 75.3(6) . . . . ?
P2 Mo1 P1 C12 158.5(5) . . . . ?
Si1 Mo1 P1 C12 -68.3(5) . . . . ?
Si2 Mo1 P1 C12 -140.9(5) . . . . ?
C4 Mo1 P2 C15 -116.9(6) . . . . ?
C5 Mo1 P2 C15 -119.3(6) . . . . ?
C3 Mo1 P2 C15 -175.4(6) . . . . ?
C2 Mo1 P2 C15 -179.9(6) . . . . ?
C1 Mo1 P2 C15 -151.5(6) . . . . ?
P1 Mo1 P2 C15 98.4(5) . . . . ?
Si1 Mo1 P2 C15 22.1(5) . . . . ?
Si2 Mo1 P2 C15 -42.6(5) . . . . ?
C4 Mo1 P2 C14 125.3(6) . . . . ?
C5 Mo1 P2 C14 123.0(5) . . . . ?
C3 Mo1 P2 C14 66.8(6) . . . . ?
C2 Mo1 P2 C14 62.3(5) . . . . ?
C1 Mo1 P2 C14 90.7(5) . . . . ?
P1 Mo1 P2 C14 -19.4(4) . . . . ?
Si1 Mo1 P2 C14 -95.7(4) . . . . ?
Si2 Mo1 P2 C14 -160.4(4) . . . . ?
C4 Mo1 P2 C16 4.4(7) . . . . ?
C5 Mo1 P2 C16 2.1(6) . . . . ?
C3 Mo1 P2 C16 -54.1(7) . . . . ?
C2 Mo1 P2 C16 -58.5(6) . . . . ?
C1 Mo1 P2 C16 -30.1(5) . . . . ?
P1 Mo1 P2 C16 -140.3(5) . . . . ?
Si1 Mo1 P2 C16 143.4(5) . . . . ?
Si2 Mo1 P2 C16 78.7(5) . . . . ?
C4 Mo1 C1 C2 80.1(7) . . . . ?
C5 Mo1 C1 C2 118.1(9) . . . . ?
C3 Mo1 C1 C2 37.3(6) . . . . ?
C2 Mo1 C1 C2 0.000(3) . . . . ?
P1 Mo1 C1 C2 -51.5(7) . . . . ?
P2 Mo1 C1 C2 -125.8(6) . . . . ?
Si1 Mo1 C1 C2 61.7(8) . . . . ?
Si2 Mo1 C1 C2 154.8(6) . . . . ?
C4 Mo1 C1 C5 -38.0(6) . . . . ?
C5 Mo1 C1 C5 0.000(1) . . . . ?
C3 Mo1 C1 C5 -80.8(7) . . . . ?
C2 Mo1 C1 C5 -118.1(9) . . . . ?
P1 Mo1 C1 C5 -169.6(6) . . . . ?
P2 Mo1 C1 C5 116.1(6) . . . . ?
Si1 Mo1 C1 C5 -56.4(8) . . . . ?
Si2 Mo1 C1 C5 36.7(6) . . . . ?
C4 Mo1 C1 C6 -162.2(13) . . . . ?
C5 Mo1 C1 C6 -124.2(14) . . . . ?
C3 Mo1 C1 C6 154.9(13) . . . . ?
C2 Mo1 C1 C6 117.7(14) . . . . ?
P1 Mo1 C1 C6 66.2(11) . . . . ?
P2 Mo1 C1 C6 -8.1(11) . . . . ?
Si1 Mo1 C1 C6 179.4(9) . . . . ?
Si2 Mo1 C1 C6 -87.6(11) . . . . ?
C5 C1 C2 C3 -4.1(13) . . . . ?
C6 C1 C2 C3 163.8(11) . . . . ?
Mo1 C1 C2 C3 -64.2(8) . . . . ?
C5 C1 C2 C7 -163.2(11) . . . . ?
C6 C1 C2 C7 4.7(18) . . . . ?
Mo1 C1 C2 C7 136.7(12) . . . . ?
C5 C1 C2 Mo1 60.1(8) . . . . ?
C6 C1 C2 Mo1 -132.0(11) . . . . ?
Mo1 C1 C2 Mo1 0.000(2) . . . . ?
C4 Mo1 C2 C1 -78.6(7) . . . . ?
C5 Mo1 C2 C1 -36.8(6) . . . . ?
C3 Mo1 C2 C1 -117.0(10) . . . . ?
C1 Mo1 C2 C1 0.000(3) . . . . ?
P1 Mo1 C2 C1 132.2(6) . . . . ?
P2 Mo1 C2 C1 58.3(7) . . . . ?
Si1 Mo1 C2 C1 -140.1(6) . . . . ?
Si2 Mo1 C2 C1 -37.0(9) . . . . ?
C4 Mo1 C2 C3 38.4(6) . . . . ?
C5 Mo1 C2 C3 80.2(7) . . . . ?
C3 Mo1 C2 C3 0.000(3) . . . . ?
C1 Mo1 C2 C3 117.0(10) . . . . ?
P1 Mo1 C2 C3 -110.8(6) . . . . ?
P2 Mo1 C2 C3 175.3(6) . . . . ?
Si1 Mo1 C2 C3 -23.1(7) . . . . ?
Si2 Mo1 C2 C3 80.0(8) . . . . ?
C4 Mo1 C2 C7 159.1(14) . . . . ?
C5 Mo1 C2 C7 -159.0(14) . . . . ?
C3 Mo1 C2 C7 120.8(16) . . . . ?
C1 Mo1 C2 C7 -122.2(16) . . . . ?
P1 Mo1 C2 C7 10.0(13) . . . . ?
P2 Mo1 C2 C7 -63.9(13) . . . . ?
Si1 Mo1 C2 C7 97.6(13) . . . . ?
Si2 Mo1 C2 C7 -159.3(10) . . . . ?
C1 C2 C3 C4 4.3(13) . . . . ?
C7 C2 C3 C4 163.3(11) . . . . ?
Mo1 C2 C3 C4 -61.3(8) . . . . ?
C1 C2 C3 C8 -165.9(12) . . . . ?
C7 C2 C3 C8 -7.0(20) . . . . ?
Mo1 C2 C3 C8 128.4(13) . . . . ?
C1 C2 C3 Mo1 65.6(8) . . . . ?
C7 C2 C3 Mo1 -135.4(12) . . . . ?
Mo1 C2 C3 Mo1 0.000(2) . . . . ?
C4 Mo1 C3 C2 -115.5(10) . . . . ?
C5 Mo1 C3 C2 -77.6(7) . . . . ?
C2 Mo1 C3 C2 0.000(3) . . . . ?
C1 Mo1 C3 C2 -36.0(6) . . . . ?
P1 Mo1 C3 C2 70.9(7) . . . . ?
P2 Mo1 C3 C2 -7.4(9) . . . . ?
Si1 Mo1 C3 C2 159.5(7) . . . . ?
Si2 Mo1 C3 C2 -128.2(6) . . . . ?
C4 Mo1 C3 C4 0.000(2) . . . . ?
C5 Mo1 C3 C4 37.9(6) . . . . ?
C2 Mo1 C3 C4 115.5(10) . . . . ?
C1 Mo1 C3 C4 79.5(7) . . . . ?
P1 Mo1 C3 C4 -173.6(6) . . . . ?
P2 Mo1 C3 C4 108.1(7) . . . . ?
Si1 Mo1 C3 C4 -85.0(6) . . . . ?
Si2 Mo1 C3 C4 -12.7(8) . . . . ?
C4 Mo1 C3 C8 119.9(14) . . . . ?
C5 Mo1 C3 C8 157.7(13) . . . . ?
C2 Mo1 C3 C8 -124.6(14) . . . . ?
C1 Mo1 C3 C8 -160.7(13) . . . . ?
P1 Mo1 C3 C8 -53.7(11) . . . . ?
P2 Mo1 C3 C8 -132.0(10) . . . . ?
Si1 Mo1 C3 C8 34.9(11) . . . . ?
Si2 Mo1 C3 C8 107.2(11) . . . . ?
C2 C3 C4 C5 -2.8(13) . . . . ?
C8 C3 C4 C5 167.6(11) . . . . ?
Mo1 C3 C4 C5 -66.6(8) . . . . ?
C2 C3 C4 C9 -166.3(11) . . . . ?
C8 C3 C4 C9 4.1(19) . . . . ?
Mo1 C3 C4 C9 129.9(11) . . . . ?
C2 C3 C4 Mo1 63.7(8) . . . . ?
C8 C3 C4 Mo1 -125.8(12) . . . . ?
Mo1 C3 C4 Mo1 0.000(1) . . . . ?
C5 Mo1 C4 C5 0.0 . . . . ?
C3 Mo1 C4 C5 114.9(9) . . . . ?
C2 Mo1 C4 C5 77.7(7) . . . . ?
C1 Mo1 C4 C5 37.7(6) . . . . ?
P1 Mo1 C4 C5 123.9(6) . . . . ?
P2 Mo1 C4 C5 -3.9(8) . . . . ?
Si1 Mo1 C4 C5 -154.1(6) . . . . ?
Si2 Mo1 C4 C5 -75.8(6) . . . . ?
C5 Mo1 C4 C3 -114.9(9) . . . . ?
C3 Mo1 C4 C3 0.000(2) . . . . ?
C2 Mo1 C4 C3 -37.2(6) . . . . ?
C1 Mo1 C4 C3 -77.2(7) . . . . ?
P1 Mo1 C4 C3 9.0(8) . . . . ?
P2 Mo1 C4 C3 -118.8(6) . . . . ?
Si1 Mo1 C4 C3 91.0(6) . . . . ?
Si2 Mo1 C4 C3 169.3(6) . . . . ?
C5 Mo1 C4 C9 122.3(13) . . . . ?
C3 Mo1 C4 C9 -122.8(13) . . . . ?
C2 Mo1 C4 C9 -160.0(12) . . . . ?
C1 Mo1 C4 C9 160.0(12) . . . . ?
P1 Mo1 C4 C9 -113.8(10) . . . . ?
P2 Mo1 C4 C9 118.4(10) . . . . ?
Si1 Mo1 C4 C9 -31.8(10) . . . . ?
Si2 Mo1 C4 C9 46.5(10) . . . . ?
C3 C4 C5 C1 0.4(13) . . . . ?
C9 C4 C5 C1 163.8(11) . . . . ?
Mo1 C4 C5 C1 -66.9(8) . . . . ?
C3 C4 C5 C10 -162.6(10) . . . . ?
C9 C4 C5 C10 0.8(18) . . . . ?
Mo1 C4 C5 C10 130.1(11) . . . . ?
C3 C4 C5 Mo1 67.3(8) . . . . ?
C9 C4 C5 Mo1 -129.3(11) . . . . ?
Mo1 C4 C5 Mo1 0.0 . . . . ?
C2 C1 C5 C4 2.3(13) . . . . ?
C6 C1 C5 C4 -164.7(11) . . . . ?
Mo1 C1 C5 C4 63.8(8) . . . . ?
C2 C1 C5 C10 165.7(10) . . . . ?
C6 C1 C5 C10 -1.2(18) . . . . ?
Mo1 C1 C5 C10 -132.8(11) . . . . ?
C2 C1 C5 Mo1 -61.5(8) . . . . ?
C6 C1 C5 Mo1 131.5(12) . . . . ?
Mo1 C1 C5 Mo1 0.0 . . . . ?
C4 Mo1 C5 C4 0.0 . . . . ?
C3 Mo1 C5 C4 -38.6(6) . . . . ?
C2 Mo1 C5 C4 -79.9(7) . . . . ?
C1 Mo1 C5 C4 -115.3(9) . . . . ?
P1 Mo1 C5 C4 -98.6(7) . . . . ?
P2 Mo1 C5 C4 177.4(6) . . . . ?
Si1 Mo1 C5 C4 28.4(7) . . . . ?
Si2 Mo1 C5 C4 100.0(6) . . . . ?
C4 Mo1 C5 C1 115.3(9) . . . . ?
C3 Mo1 C5 C1 76.7(7) . . . . ?
C2 Mo1 C5 C1 35.4(6) . . . . ?
C1 Mo1 C5 C1 0.000(1) . . . . ?
P1 Mo1 C5 C1 16.7(9) . . . . ?
P2 Mo1 C5 C1 -67.3(6) . . . . ?
Si1 Mo1 C5 C1 143.7(5) . . . . ?
Si2 Mo1 C5 C1 -144.8(6) . . . . ?
C4 Mo1 C5 C10 -121.8(14) . . . . ?
C3 Mo1 C5 C10 -160.4(12) . . . . ?
C2 Mo1 C5 C10 158.3(12) . . . . ?
C1 Mo1 C5 C10 122.9(13) . . . . ?
P1 Mo1 C5 C10 139.6(9) . . . . ?
P2 Mo1 C5 C10 55.6(11) . . . . ?
Si1 Mo1 C5 C10 -93.3(11) . . . . ?
Si2 Mo1 C5 C10 -21.8(10) . . . . ?
C11 P1 C13 C14 70.3(9) . . . . ?
C12 P1 C13 C14 171.4(8) . . . . ?
Mo1 P1 C13 C14 -55.9(8) . . . . ?
P1 C13 C14 P2 39.1(10) . . . . ?
C15 P2 C14 C13 -136.4(9) . . . . ?
C16 P2 C14 C13 123.8(9) . . . . ?
Mo1 P2 C14 C13 -7.1(10) . . . . ?
Mo1 Si1 C17 C18 88.3(10) . . . . ?
Mo1 Si1 C17 C22 -95.1(9) . . . . ?
C22 C17 C18 C19 1.0(17) . . . . ?
Si1 C17 C18 C19 177.9(9) . . . . ?
C17 C18 C19 C20 -0.5(18) . . . . ?
C18 C19 C20 C21 1.0(18) . . . . ?
C19 C20 C21 C22 -1.9(17) . . . . ?
C20 C21 C22 C17 2.5(17) . . . . ?
C18 C17 C22 C21 -1.9(16) . . . . ?
Si1 C17 C22 C21 -178.8(8) . . . . ?
Mo1 Si2 C23 C24 -6.5(12) . . . . ?
Mo1 Si2 C23 C28 175.9(7) . . . . ?
C28 C23 C24 C25 -0.4(17) . . . . ?
Si2 C23 C24 C25 -178.0(9) . . . . ?
C23 C24 C25 C26 2.0(17) . . . . ?
C24 C25 C26 C27 -1.8(18) . . . . ?
C25 C26 C27 C28 0.2(18) . . . . ?
C24 C23 C28 C27 -1.3(17) . . . . ?
Si2 C23 C28 C27 176.5(9) . . . . ?
C26 C27 C28 C23 1.5(18) . . . . ?
