Synthesis, characterization, and cancer cell-selective cytotoxicity of mixed-ligand cobalt(III) complexes of 8-hydroxyquinolines and phenanthroline bases.
Deka, Banashree; Sarkar, Tukki; Bhattacharyya, Arnab; Butcher, Ray J.; Banerjee, Samya; Deka, Sasanka; Saikia, Kandarpa K.; Hussain, Akhtar; Dalton transactions (Cambridge, England : 2003) 53 (2024) 4952–4961; doi:10.1039/d3dt04045c

data_7714988
_publ_section_title
;
 Synthesis, characterization, and cancer cell-selective cytotoxicity of
 mixed-ligand cobalt(III) complexes of 8-hydroxyquinolines and
 phenanthroline bases.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4952
_journal_page_last               4961
_journal_paper_doi               10.1039/d3dt04045c
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C33 H22 Co N5 O, 2(P F6)'
_chemical_formula_sum            'C33 H22 Co F12 N5 O P2'
_chemical_formula_weight         853.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-22 deposited with the CCDC.	2024-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   19.009(4)
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_cell_measurement_theta_min      2.546
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_computing_cell_refinement       'Bruker Apex 2'
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_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.919
_diffrn_measurement_device_type  'Bruker Apex 2'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_unetI/netI     0.0830
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.919
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_diffrn_reflns_number            59350
_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         30.966
_diffrn_reflns_theta_min         2.208
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6850
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            red-brown
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_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10800
_refine_ls_number_restraints     132
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.1668
_refine_ls_R_factor_gt           0.0732
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1307P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2085
_refine_ls_wR_factor_ref         0.2576
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4827
_reflns_number_total             10800
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt04045c2.cif
_cod_data_source_block           akhicf11
_cod_depositor_comments
'Adding full bibliography for 7714988--7714989.cif.'
_cod_original_cell_volume        3695.6(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7714988
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_shelx_res_checksum              18182
_shelx_fab_checksum              63665