Are Zn(II) pincer complexes efficient apoptosis inducers? A deeper insight against A549 lung cancer cells
Das, Athulya; Sankaralingam, Muniyandi; Dalton Transactions  (2023) –; doi:10.1039/D3DT02419A

data_7713951
_publ_section_title
;
 Are Zn(II) pincer complexes efficient apoptosis inducers? A deeper
 insight against A549 lung cancer cells
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02419A
_journal_year                    2023
_chemical_formula_sum            'C15 H18 Cl N3 O3 Zn'
_chemical_formula_weight         389.14
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-07-15 deposited with the CCDC.	2023-09-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_c                   17.3975(6)
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_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      69.43
_cell_measurement_theta_min      5.08
_cell_volume                     3143.51(17)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
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_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 2012)'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture Diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0863
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            66873
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         5.084
_diffrn_source                   'micro focus sealed tube'
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_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.5516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600
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_exptl_crystal_size_mid          0.137
_exptl_crystal_size_min          0.045
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0641
_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^)+(0.0564P)^2^+20.6714P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1544
_refine_ls_wR_factor_ref         0.1820
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_reflns_number_gt                2186
_reflns_number_total             2954
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt02419a2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        3143.52(17)
_cod_database_code               7713951
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.607
_shelx_estimated_absorpt_t_max   0.844
_shelx_res_checksum              30544