Isolable 1,1-disubstituted silole dianion: a homogeneous two-electron-transfer reducing reagent.
Han, Zhengang; Li, Jianfeng; Hu, Hongfan; Zhang, Jianying; Cui, Chunming; Inorganic chemistry 53 (2014) 5890–5892; doi:10.1021/ic500820v

data_4338675
_publ_section_title
;
 Isolable 1,1-disubstituted silole dianion: a homogeneous
 two-electron-transfer reducing reagent.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5890
_journal_page_last               5892
_journal_paper_doi               10.1021/ic500820v
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C38 H64 Li2 N2 O2 Si3'
_chemical_formula_weight         679.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.093(12)
_cell_angle_beta                 70.700(9)
_cell_angle_gamma                63.880(9)
_cell_formula_units_Z            8
_cell_length_a                   20.718(3)
_cell_length_b                   21.050(3)
_cell_length_c                   22.539(4)
_cell_measurement_temperature    113(2)
_cell_volume                     8329(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0686
_diffrn_reflns_av_sigmaI/netI    0.1295
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            86024
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_T_max  0.9743
_exptl_absorpt_correction_T_min  0.9687
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.719
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1733
_refine_ls_number_reflns         39261
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1194
_refine_ls_R_factor_gt           0.0714
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1482
_refine_ls_wR_factor_ref         0.1794
_reflns_number_gt                24553
_reflns_number_total             39261
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500820v_si_002.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 4338675--4338676.cif.'
_cod_original_cell_volume        8330(2)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4338675