A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.
Kosai, Tomoyuki; Iwamoto, Takeaki; Journal of the American Chemical Society  (2017) –; doi:10.1021/jacs.7b09989

data_4126805
_publ_section_title
;
 A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions
 through the Si=Si Double Bond.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.7b09989
_journal_year                    2017
_chemical_formula_moiety         'C34 H70 Si6'
_chemical_formula_sum            'C34 H70 Si6'
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_atom_sites_solution_hydrogens   geom
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_cell_formula_units_Z            4
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_cell_measurement_reflns_used    9958
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_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         27.500
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS Sheldrick 1996'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_exptl_crystal_size_min          0.050
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         18671
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_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0448
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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^)+(0.0629P)^2^+3.8234P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b09989_si_002.cif
_cod_data_source_block           Compound_2__TK50a
_cod_original_cell_volume        4063.20(14)
_cod_database_code               4126805
_shelx_estimated_absorpt_t_min   0.967
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2014-3
_shelx_res_checksum              74228
_shelx_hkl_checksum              15065