Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.
Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine; Dalton transactions (Cambridge, England : 2003) 43 (2014) 13704–13710; doi:10.1039/c4dt01681e

data_7032378
_publ_section_title
;
 Synthesis and structural investigation of R2Si (R = Me, Ph) bridged
 di-N-heterocyclic carbenes.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13704
_journal_page_last               13710
_journal_paper_doi               10.1039/c4dt01681e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C39 H45 Cl2 Cu N2 Si, c7 H8'
_chemical_formula_sum            'C46 H53 Cl2 Cu N2 Si'
_chemical_formula_weight         796.43
_chemical_name_systematic
;
 ?
;
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 98.03(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   15.471(2)
_cell_length_c                   24.676(3)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.144
_cell_measurement_theta_min      2.236
_cell_volume                     4301.9(11)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-13 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'bruker smart apexII ultra'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_limit_l_min       -30
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.378
_diffrn_reflns_theta_min         1.558
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_description       plate
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.196
_exptl_crystal_size_min          0.150
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_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         8799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0288
_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/[\s^2^(Fo^2^)+(0.0300P)^2^+2.5658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0740
_reflns_Friedel_coverage         0.000
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_reflns_number_total             8799
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_file            c4dt01681e2.cif
_cod_data_source_block           p21c_a
_cod_database_code               7032378
_shelxl_version_number           2013-4
_shelx_res_checksum              14807
_shelx_hkl_checksum              6977