Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.
Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.; Dalton transactions (Cambridge, England : 2003) 50 (2021) 12448–12456; doi:10.1039/d1dt02164h

data_7708235
_publ_section_title
;
 Intramolecular aurophilic interactions in dinuclear gold(I) complexes
 with twisted bridging 2,2'-bipyridine ligands.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12448
_journal_page_last               12456
_journal_paper_doi               10.1039/d1dt02164h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C50.5 H43 Au2 Cl F6 N2 O8 P2 S2'
_chemical_formula_weight         1475.31
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-24 deposited with the CCDC.	2021-08-17 downloaded from the CCDC.
;
_cell_angle_alpha                99.471(2)
_cell_angle_beta                 100.0750(10)
_cell_angle_gamma                101.094(2)
_cell_formula_units_Z            2
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_cell_length_b                   14.7849(7)
_cell_length_c                   14.8938(6)
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.4116
_cell_measurement_theta_min      2.3909
_cell_volume                     2689.2(2)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
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_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'ShelXle (H\"ubschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       18
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_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41670
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_diffrn_source                   'sealed X-ray tube'
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_exptl_absorpt_correction_T_min  0.4241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.074
_refine_diff_density_min         -0.946
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_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_restraints     60
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0223P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0708
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13216
_reflns_number_total             16266
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            d1dt02164h2.cif
_cod_data_source_block           ns224
_cod_depositor_comments
'Adding full bibliography for 7708233--7708237.cif.'
_cod_original_formula_sum        'C50.50 H43 Au2 Cl F6 N2 O8 P2 S2'
_cod_database_code               7708235
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.502
_shelx_estimated_absorpt_t_max   0.658
_shelx_res_checksum              90805
_shelx_hkl_checksum              79956