Stepwise isolation of an unprecedented silylene supported dinuclear gold(i) cation with aurophilic interaction.
Khan, Shabana; Pal, Shiv; Kathewad, Neha; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; Chemical communications (Cambridge, England) 52 (2016) 3880–3882; doi:10.1039/c6cc00597g

data_7118682
_publ_section_title
;
 Stepwise isolation of an unprecedented silylene supported dinuclear
 gold(i) cation with aurophilic interaction.
;
_journal_issue                   20
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3880
_journal_page_last               3882
_journal_paper_doi               10.1039/c6cc00597g
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C40 H52 Au Cl3 N3 P Si'
_chemical_formula_weight         937.22
_chemical_properties_physical    Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-11-13 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                81.27(3)
_cell_angle_beta                 82.82(2)
_cell_angle_gamma                65.87(2)
_cell_formula_units_Z            2
_cell_length_a                   11.933(11)
_cell_length_b                   12.334(13)
_cell_length_c                   17.499(16)
_cell_measurement_reflns_used    5572
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.85
_cell_measurement_theta_min      2.2835
_cell_volume                     2318(4)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_av_unetI/netI     0.0698
_diffrn_reflns_laue_measured_fraction_full 0.937
_diffrn_reflns_laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38188
_diffrn_reflns_point_group_measured_fraction_full 0.937
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.145
_exptl_absorpt_coefficient_mu    3.435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
Sheldrick,G.M.(2012)SADABS.BrukerAXSInc.,Madison,Wisconsin,USA.
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7413
_exptl_transmission_factor_min   0.5735
_refine_diff_density_max         3.306
_refine_diff_density_min         -1.545
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10080
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_gt           0.0752
_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^)+(0.1479P)^2^+8.0834P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2087
_refine_ls_wR_factor_ref         0.2296
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8037
_reflns_number_total             10080
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc00597g2.cif
_cod_data_source_block           SINP_3
_cod_depositor_comments
'Adding full bibliography for 7118681--7118683.cif.'
_cod_database_code               7118682
_platon_squeeze_void_probe_radius 1.20
_shelxl_version_number           2014/6
_shelx_res_checksum              19758