Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by phenylacetylene stabilizers.
Jin, Jun-Ling; Zhang, Sheng-Fa; Fang, Jun-Jie; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing; Dalton transactions (Cambridge, England : 2003) 54 (2025) 1270–1275; doi:10.1039/d4dt02753a

data_7717564
_publ_section_title
;
 Assembly of silver(I)-copper(I) bimetallic thiolate complexes assisted by
 phenylacetylene stabilizers.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1270
_journal_page_last               1275
_journal_paper_doi               10.1039/d4dt02753a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C102 H126 Ag5.81 Cu5.2 F12 O P8 S9'
_chemical_formula_weight         3088.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-11-18 deposited with the CCDC.	2024-11-25 downloaded from the CCDC.
;
_cell_angle_alpha                60.445(2)
_cell_angle_beta                 64.889(2)
_cell_angle_gamma                86.266(2)
_cell_formula_units_Z            2
_cell_length_a                   18.2666(13)
_cell_length_b                   21.1885(14)
_cell_length_c                   21.1999(14)
_cell_measurement_reflns_used    9774
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.5527
_cell_measurement_theta_min      2.9316
_cell_volume                     6353.8(8)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'Apex3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL XT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_av_unetI/netI     0.0531
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            86632
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        23.256
_diffrn_reflns_theta_max         23.256
_diffrn_reflns_theta_min         2.860
_exptl_absorpt_coefficient_mu    2.031
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6661
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_description       block
_exptl_crystal_F_000             3083
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.024
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1510
_refine_ls_number_reflns         18212
_refine_ls_number_restraints     811
_refine_ls_restrained_S_all      5.874
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.096
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0742P)^2^+40.1739P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1388
_refine_ls_wR_factor_ref         0.1647
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12483
_reflns_number_total             18212
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02753a2.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7717564--7717565.cif.
;
_cod_original_formula_sum        'C102 H126 Ag5.81 Cu5.20 F12 O P8 S9'
_cod_database_code               7717564
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              24299
_shelx_hkl_checksum              77263