A novel copper(II) complex with a salicylidene carbohydrazide ligand that promotes oxidative stress and apoptosis in triple negative breast cancer cells.
Paliwal, Kumudini; Swain, Abinash; Mishra, Durga Prasad; Sudhadevi Antharjanam, P. K.; Kumar, Manjuri; Dalton transactions (Cambridge, England : 2003) 53 (2024) 17702–17720; doi:10.1039/d4dt01914h

data_7717206
_publ_section_title
;
 A novel copper(II) complex with a salicylidene carbohydrazide ligand that
 promotes oxidative stress and apoptosis in triple negative breast cancer
 cells.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17702
_journal_page_last               17720
_journal_paper_doi               10.1039/d4dt01914h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '2(C27 H19 Cu2 N6 O3) + 2(N O3) + 5H2O'
_chemical_formula_sum            'C54 H48 Cu4 N14 O17'
_chemical_formula_weight         1419.22
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-09-20 deposited with the CCDC.	2024-10-04 downloaded from the CCDC.
;
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   33.032(6)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.72
_cell_measurement_theta_min      3.14
_cell_volume                     11178(4)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
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_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker axs kappa apex3 CMOS diffractometer'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.2314
_diffrn_reflns_av_unetI/netI     0.0743
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_l_min       -32
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_diffrn_reflns_theta_max         20.857
_diffrn_reflns_theta_min         2.850
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    1.589
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            black
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_exptl_crystal_size_min          0.100
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_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     917
_refine_ls_number_reflns         5864
_refine_ls_number_restraints     1030
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.1696
_refine_ls_R_factor_gt           0.1230
_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^)+338.2379P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2043
_refine_ls_wR_factor_ref         0.2259
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4227
_reflns_number_total             5864
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01914h2.cif
_cod_data_source_block           K16
_cod_depositor_comments          'Adding full bibliography for 7717206.cif.'
_cod_original_cell_volume        11178(3)
_cod_database_code               7717206
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.797
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_shelx_res_checksum              31445
_shelx_hkl_checksum              28946