Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.
Zuzek, Ashley A.; Parkin, Gerard; Journal of the American Chemical Society 136 (2014) 8177–8180; doi:10.1021/ja503368j

data_4121924
_publ_section_title
;
 Si-H and Si-C Bond Cleavage Reactions of Silane and Phenylsilanes with
 Mo(PMe3)6: Silyl, Hypervalent Silyl, Silane, and Disilane Complexes.
;
_journal_issue                   23
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8177
_journal_page_last               8180
_journal_paper_doi               10.1021/ja503368j
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C12 H42 Mo P4 Si'
_chemical_formula_weight         434.36
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_a                   13.8563(13)
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_cell_length_c                   12.3440(12)
_cell_measurement_reflns_used    8992
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.98
_cell_measurement_theta_min      2.68
_cell_volume                     2310.4(4)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0470
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_max  0.9488
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_exptl_crystal_description       block
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_refine_diff_density_rms         0.081
_refine_ls_abs_structure_details
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   -0.02(4)
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     1
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_refine_ls_R_factor_gt           0.0318
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0236P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3662
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja503368j_si_005.cif
_cod_data_source_block           mosis10
_cod_depositor_comments
'Adding full bibliography for 4121917--4121924.cif.'
_cod_database_code               4121924
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_shelx_estimated_absorpt_t_max   0.949
_shelxl_version_number           2013-4
_shelx_res_checksum              22465
_shelx_hkl_checksum              51099