New palladium(ii) and platinum(ii) complexes with an ONS donor azo-thioether pincer ligand: synthesis, characterization, protein binding study and in vitro cytotoxicity
Das, Akash; Saha, Moumita; Mandal, Subrata; Das, Sanjib; Das Saha, Krishna; Mondal, Tapan K.; New Journal of Chemistry 47 (2023) 4931–4943; doi:10.1039/D3NJ00334E

data_7062270
_publ_section_title
;
 New palladium(ii) and platinum(ii) complexes with an ONS donor
 azo-thioether pincer ligand: synthesis, characterization, protein binding
 study and in vitro cytotoxicity
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4931
_journal_page_last               4943
_journal_paper_doi               10.1039/D3NJ00334E
_journal_volume                  47
_journal_year                    2023
_chemical_formula_sum            'C14 H12 Cl2 N2 O Pd S'
_chemical_formula_weight         433.62
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-06-13 deposited with the CCDC.	2023-02-06 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.988
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_diffrn_reflns_point_group_measured_fraction_full 0.989
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_diffrn_reflns_theta_min         2.554
_diffrn_source                   'sealed tube X-ray source'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            red
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0278
_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^)+(0.0271P)^2^+0.3772P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0758
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3297
_reflns_number_total             3376
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj00334e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7062270--7062271.cif.'
_cod_database_code               7062270
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              4416