Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.
Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.; Journal of the American Chemical Society 137 (2015) 150–153; doi:10.1021/ja512089e

data_4123329
_publ_section_title
;
 Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong
 intramolecular charge transfer transition.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              150
_journal_page_last               153
_journal_paper_doi               10.1021/ja512089e
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C15 H23 Cl6 P Si2'
_chemical_formula_sum            'C15 H23 Cl6 P Si2'
_chemical_formula_weight         503.18
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                79.47(2)
_cell_angle_beta                 82.48(2)
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_cell_formula_units_Z            4
_cell_length_a                   9.812(2)
_cell_length_b                   13.784(2)
_cell_length_c                   18.184(3)
_cell_measurement_reflns_used    9931
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      26.141
_cell_measurement_theta_min      2.2875
_cell_volume                     2331.7(8)
_computing_cell_refinement       'SAINT V8.30C'
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_diffrn_ambient_temperature      101(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Smart APEX II Ultra'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_max       17
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_diffrn_reflns_number            52866
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
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_diffrn_reflns_theta_max         26.155
_diffrn_reflns_theta_min         1.144
_diffrn_source                   'BRUKER Rotating Anode'
_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_T_max  0.5701
_exptl_absorpt_correction_T_min  0.5160
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_exptl_absorpt_process_details   SADABS-2014/3
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0345
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0326P)^2^+1.0356P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja512089e_si_002.cif
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_cod_database_code               4123329
_shelx_estimated_absorpt_t_min   0.696
_shelx_estimated_absorpt_t_max   0.929
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_shelx_res_checksum              91712
_shelx_hkl_checksum              79491