#------------------------------------------------------------------------------
#$Date: 2019-11-24 07:34:57 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237139 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/79/4087937.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4087937
loop_
_publ_author_name
'Khan, Shabana'
'Ahirwar, Saurabh K.'
'Pal, Shiv'
'Parvin, Nasrina'
'Kathewad, Neha'
_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         'C42 H82 Cu2 I2 N6 Si6, C7 H8'
_chemical_formula_sum            'C49 H90 Cu2 I2 N6 Si6'
_chemical_formula_weight         1312.68
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 90.370(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.742(5)
_cell_length_b                   11.2775(15)
_cell_length_c                   31.977(3)
_cell_measurement_reflns_used    9586
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.035
_cell_measurement_theta_min      2.547
_cell_volume                     12528(3)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(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  0.2246
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            500345
_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         25.250
_diffrn_reflns_theta_min         2.284
_exptl_absorpt_coefficient_mu    1.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick,G.M(2012)SADABS.Bruker AXS Inc.,Madison,Wisconsin,USA.'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_description       block
_exptl_crystal_F_000             5392
_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   0.6400
_refine_diff_density_max         1.820
_refine_diff_density_min         -1.558
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       0.000041(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         11338
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.1186
_refine_ls_R_factor_gt           0.0911
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+710.9722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.1963
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9023
_reflns_number_total             11338
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00745_si_002.cif
_cod_data_source_block           NS_2
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4087937
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.839
_shelx_estimated_absorpt_t_max   0.839
_shelxl_version_number           2014/6
