Syntheses, crystal structures, and biological evaluations of new dinuclear platinum(ii) complexes with 1,2,4-triazole derivatives as bridging ligands.
Wang, Jianwei; Li, Xinhua; Yuan, Caixia; Su, Feng; Wu, Yan-Bo; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4527–4538; doi:10.1039/d0dt03285a

data_7706717
_publ_section_title
;
 Syntheses, crystal structures, and biological evaluations of new
 dinuclear platinum(ii) complexes with 1,2,4-triazole derivatives as
 bridging ligands.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4527
_journal_page_last               4538
_journal_paper_doi               10.1039/d0dt03285a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C44 H40 Cl4 N16 O4 Pt2 S4, 6(C2 H6 O S)'
_chemical_formula_sum            'C56 H76 Cl4 N16 O10 Pt2 S10'
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_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-2018/3
_audit_update_record
;
2021-02-20 deposited with the CCDC.	2021-03-01 downloaded from the CCDC.
;
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_cell_volume                     1873.4(8)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.936
_diffrn_measurement_device_type  mar555
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_av_unetI/netI     0.0367
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_diffrn_source                   'synchrotron, 3W1A at BSRF'
_exptl_absorpt_coefficient_mu    4.331
_exptl_absorpt_correction_T_max  0.671
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_description       block
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_refine_diff_density_max         2.379
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0413
_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^)+(0.0989P)^2^+2.3241P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1323
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5502
_reflns_number_total             5985
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03285a2.cif
_cod_data_source_block           Y3-B-ZY100-2R
_cod_depositor_comments
'Adding full bibliography for 7706716--7706718.cif.'
_cod_original_cell_volume        1873.3(7)
_cod_database_code               7706717
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.671
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_shelx_res_checksum              51287
_shelx_hkl_checksum              39215