Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2) Supported Copper, Silver, and Gold Complexes
Khan, Shabana; Ahirwar, Saurabh K.; Pal, Shiv; Parvin, Nasrina; Kathewad, Neha; Organometallics 34 (2015) 5401–; doi:10.1021/acs.organomet.5b00745

data_4087938
_publ_section_title
;
 Silicon(II) Bis(trimethylsilyl)amide (LSiN(SiMe3)2, L = PhC(NtBu)2)
 Supported Copper, Silver, and Gold Complexes
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5401
_journal_paper_doi               10.1021/acs.organomet.5b00745
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C44 H82 Ag2 F6 N6 O6 S2 Si6'
_chemical_formula_sum            'C44 H82 Ag2 F6 N6 O6 S2 Si6'
_chemical_formula_weight         1353.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 104.283(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.455(3)
_cell_length_b                   39.412(11)
_cell_length_c                   17.344(5)
_cell_measurement_reflns_used    9629
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.220
_cell_measurement_theta_min      2.283
_cell_volume                     6263(3)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_unetI/netI     0.0370
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            78269
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.249
_diffrn_reflns_theta_min         2.282
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick,G.M.(2012) SADABS.Bruker AXS Inc.,Madison,Wisconsin,USA.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       block
_exptl_crystal_F_000             2800
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.6743
_refine_diff_density_max         1.687
_refine_diff_density_min         -0.939
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     674
_refine_ls_number_reflns         11337
_refine_ls_number_restraints     81
_refine_ls_restrained_S_all      1.133
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0508P)^2^+29.2459P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1043
_reflns_Friedel_coverage         0.996
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                10747
_reflns_number_total             11337
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00745_si_003.cif
_cod_data_source_block           NS_3
_cod_original_cell_volume        6264(3)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4087938
_shelxl_version_number           2014/6
_shelx_res_checksum              95277
_shelx_hkl_checksum              43842