N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.
Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana; Chemical communications (Cambridge, England) 56 (2020) 7625–7628; doi:10.1039/d0cc03156a

data_7126628
_publ_section_title
;
 N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.
;
_journal_issue                   55
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7625
_journal_page_last               7628
_journal_paper_doi               10.1039/d0cc03156a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C29 H51 Au F6 N3 Sb Si3'
_chemical_formula_weight         958.71
_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-2016/6
_audit_update_record
;
2018-01-25 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.012(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.214(7)
_cell_length_b                   18.276(6)
_cell_length_c                   18.686(6)
_cell_measurement_temperature    150(2)
_cell_volume                     7576(4)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2456
_diffrn_reflns_av_unetI/netI     0.1670
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            104634
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.156
_diffrn_reflns_theta_max         25.156
_diffrn_reflns_theta_min         2.229
_exptl_absorpt_coefficient_mu    4.729
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_F_000             3776
_refine_diff_density_max         2.265
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     849
_refine_ls_number_reflns         13512
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1724
_refine_ls_R_factor_gt           0.0800
_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^)+272.6465P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7556
_reflns_number_total             13512
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03156a2.cif
_cod_data_source_block           7
_cod_depositor_comments
'Adding full bibliography for 7126624--7126629.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7126628
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              67224