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_4087939
_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_sum            'C21 H41 Au Cl N3 Si3'
_chemical_formula_weight         652.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 101.464(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.904(3)
_cell_length_b                   18.360(7)
_cell_length_c                   17.794(7)
_cell_measurement_reflns_used    9239
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.115
_cell_measurement_theta_min      2.507
_cell_volume                     2850.9(18)
_computing_cell_refinement       'APEX2 (Bruker, 2013); SAINT (Bruker,2013)'
_computing_data_collection       'GIS (Bruker)'
_computing_data_reduction
'SAINT (Bruker, 2013); XPREP (Sheldrick,2013)'
_computing_molecular_graphics    'Jmol (Jmol.org, 2013)'
_computing_publication_material  'APEX2 (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            97048
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.214
_diffrn_reflns_theta_min         2.334
_exptl_absorpt_coefficient_mu    5.392
_exptl_absorpt_process_details
'Sheldrick,G.M.(2012) SADABS.Bruker AXS Inc.,Madison,Wisconsin,USA.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7455
_exptl_transmission_factor_min   0.5472
_refine_diff_density_max         0.942
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.00167(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         6269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0108P)^2^+4.3581P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0502
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5501
_reflns_number_total             6269
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00745_si_005.cif
_cod_data_source_block           NS_5
_cod_original_cell_volume        2851.1(18)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4087939
_shelxl_version_number           2013-4
_shelx_res_checksum              61274
_shelx_hkl_checksum              10438