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_7706716
_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         'C40 H32 Cl4 N16 O4 Pt2 S4, 4(C2 H6 O S)'
_chemical_formula_sum            'C48 H56 Cl4 N16 O8 Pt2 S8'
_chemical_formula_weight         1773.54
_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_measurement_temperature    298(2)
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_cell_measurement_theta_min      2.84
_cell_volume                     1895.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
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_computing_structure_solution    'SHELXS-97  (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0654
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_diffrn_reflns_theta_min         1.502
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.100
_exptl_absorpt_correction_T_max  0.494
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.200
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_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.436
_refine_diff_density_min         -1.245
_refine_diff_density_rms         0.133
_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         6746
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0518P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.0968
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5587
_reflns_number_total             6746
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03285a2.cif
_cod_data_source_block           zy41-2r_sq
_cod_depositor_comments
'Adding full bibliography for 7706716--7706718.cif.'
_cod_database_code               7706716
_shelx_shelxl_version_number     2018/3
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