Confinement-supported aurophilic interaction
Diack, Youssoupha; Mallet-Ladeira, Sonia; Lesage, Denis; Guerra, João V. S.; Bourissou, Didier; Szalóki, György; Chemical Communications 61 (2025) 8003–8006; doi:10.1039/D5CC01540E

data_7134462
_publ_section_title
;
 Confinement-supported aurophilic interaction
;
_journal_issue                   44
_journal_name_full               'Chemical Communications'
_journal_page_first              8003
_journal_page_last               8006
_journal_paper_doi               10.1039/D5CC01540E
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety
'C114 H105 O24 Si6, 3(C10 H28 Au2 P4), 2(C2 H3 N)'
_chemical_formula_sum            'C148 H195 Au6 N2 O24 P12 Si6'
_chemical_formula_weight         4108.06
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2025-02-28 deposited with the CCDC.	2025-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.1740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   37.0345(14)
_cell_length_b                   25.8098(10)
_cell_length_c                   23.2625(8)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.84
_cell_measurement_theta_min      2.36
_cell_volume                     22176.6(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_unetI/netI     0.0229
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            279228
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.398
_diffrn_reflns_theta_min         1.967
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.12
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.23
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8108
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.821
_refine_diff_density_min         -2.355
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1137
_refine_ls_number_reflns         20341
_refine_ls_number_restraints     572
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.068
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0186P)^2^+716.4391P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1535
_refine_ls_wR_factor_ref         0.159
_reflns_Friedel_coverage         0
_reflns_number_gt                17096
_reflns_number_total             20341
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc01540e2.cif
_cod_data_source_block           YD0119
_cod_depositor_comments
'Adding full bibliography for 7134461--7134463.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134462
_shelx_shelxl_version_number     2019/3
_shelx_res_checksum              57616
_shelx_hkl_checksum              69748
_shelx_fab_checksum              3530