Palladium(ii) and platinum(ii) complexes with ONN donor pincer ligand: synthesis, characterization and in vitro cytotoxicity study
Bera, Biswajit; Mondal, Sanchaita; Gharami, Saswati; Naskar, Rahul; Das Saha, Krishna; Mondal, Tapan K.; New Journal of Chemistry 46 (2022) 11277–11285; doi:10.1039/D2NJ01894B

data_7061501
_publ_section_title
;
 Palladium(ii) and platinum(ii) complexes with ONN donor pincer ligand:
 synthesis, characterization and in vitro cytotoxicity study
;
_journal_issue                   23
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11277
_journal_page_last               11285
_journal_paper_doi               10.1039/D2NJ01894B
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C23 H24 Cl2 N4 O Pd'
_chemical_formula_weight         549.76
_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   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-11-23 deposited with the CCDC.	2022-05-12 downloaded from the CCDC.
;
_cell_angle_alpha                80.629(4)
_cell_angle_beta                 84.019(4)
_cell_angle_gamma                79.944(4)
_cell_formula_units_Z            4
_cell_length_a                   9.2645(16)
_cell_length_b                   10.3915(18)
_cell_length_c                   24.989(4)
_cell_measurement_reflns_used    8400
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.00
_cell_measurement_theta_min      2.25
_cell_volume                     2330.1(7)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker AXS D8 Quest CMOS diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            44538
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.012
_diffrn_source                   'sealed tube X-ray source'
_exptl_absorpt_coefficient_mu    1.048
_exptl_absorpt_correction_T_max  0.8324
_exptl_absorpt_correction_T_min  0.5742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.819
_refine_diff_density_min         -2.157
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         7882
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.0983
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+45.8054P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1925
_refine_ls_wR_factor_ref         0.2001
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6551
_reflns_number_total             7882
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj01894b2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7061501--7061502.cif.'
_cod_database_code               7061501
_shelx_shelxl_version_number     2016/6
_exptl_absorpt_special_details
'Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10'
_shelx_res_checksum              38900