Copper(ii) complexes of 2-methyl-8-hydroxyquinoline and tri/diimine co-ligand: DFT calculations, DNA and BSA binding, DNA cleavage, cytotoxicity and induction of apoptosis
Sangeetha, Somasundaram; Ajaykamal, Tamilarasan; Murali, Mariappan; New Journal of Chemistry 45 (2021) 7578–7593; doi:10.1039/D1NJ00392E

data_7060510
_publ_section_title
;
 Copper(ii) complexes of 2-methyl-8-hydroxyquinoline and tri/diimine
 co-ligand: DFT calculations, DNA and BSA binding, DNA cleavage,
 cytotoxicity and induction of apoptosis
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7578
_journal_page_last               7593
_journal_paper_doi               10.1039/D1NJ00392E
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C25 H19 Cl Cu N4 O5'
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_symmetry_space_group_name_H-M   'P -1'
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_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-07-16 deposited with the CCDC.	2021-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                75.187(2)
_cell_angle_beta                 79.635(2)
_cell_angle_gamma                86.841(2)
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_cell_measurement_temperature    293(2)
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_cell_volume                     1188.3(2)
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_computing_data_reduction        'SAINT (Bruker, 1998)'
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_computing_structure_solution    'SIR97 (Giacovazzo et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '8.192 pixels/mm'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'BRUKER AXS SMART 1000'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         29.01
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_exptl_absorpt_correction_T_max  1.000000
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_exptl_crystal_colour            red
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: MeCN:MeOH'
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_refine_ls_number_reflns         6274
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0539P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                4623
_reflns_number_total             6274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1nj00392e2.cif
_cod_data_source_block           mmcutmq
_cod_depositor_comments          'Adding full bibliography for 7060510.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7060510