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_4087936
_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            'C25 H46 Ag N4 O3 Si3'
_chemical_formula_weight         642.80
_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-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 110.715(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.681(3)
_cell_length_b                   9.0586(13)
_cell_length_c                   18.489(3)
_cell_measurement_reflns_used    9390
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.015
_cell_measurement_theta_min      2.355
_cell_volume                     3239.8(8)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(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  0.2107
_diffrn_reflns_av_unetI/netI     0.1095
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            90191
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.248
_diffrn_reflns_theta_min         2.355
_exptl_absorpt_coefficient_mu    0.763
_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    1.318
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.6934
_refine_diff_density_max         2.419
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5850
_refine_ls_number_restraints     98
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.2083
_refine_ls_R_factor_gt           0.1193
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1082P)^2^+79.6678P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2666
_refine_ls_wR_factor_ref         0.3267
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3172
_reflns_number_total             5850
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00745_si_004.cif
_cod_data_source_block           NS_4
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4087936
_shelxl_version_number           2014/6
_shelx_res_checksum              36581
_shelx_hkl_checksum              21094