Novel mitochondria targeted copper(ii) complexes of ferrocenyl terpyridine and anticancer active 8-hydroxyquinolines showing remarkable cytotoxicity, DNA and protein binding affinity.
Deka, Banashree; Sarkar, Tukki; Banerjee, Samya; Kumar, Arun; Mukherjee, Sanjoy; Deka, Sasanka; Saikia, Kandarpa K.; Hussain, Akhtar; Dalton transactions (Cambridge, England : 2003) 46 (2017) 396–409; doi:10.1039/c6dt03660k

data_7041251
_publ_section_title
;
 Novel mitochondria targeted copper(ii) complexes of ferrocenyl
 terpyridine and anticancer active 8-hydroxyquinolines showing remarkable
 cytotoxicity, DNA and protein binding affinity.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              396
_journal_page_last               409
_journal_paper_doi               10.1039/c6dt03660k
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C25 H19 Cu0.5 F6 Fe N3.5 O3 P'
_chemical_formula_sum            'C25 H19 Cu0.5 F6 Fe N3.5 O3 P'
_chemical_formula_weight         649.08
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-02-29 deposited with the CCDC.
2016-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.893(3)
_cell_angle_gamma                90
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_cell_length_b                   19.8816(12)
_cell_length_c                   12.8082(8)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.53
_cell_measurement_theta_min      2.60
_cell_volume                     5491.4(6)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
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_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
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_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0.3
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart CCD Area Detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0428
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_diffrn_reflns_limit_h_max       26
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_diffrn_reflns_limit_l_min       -18
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            Brown
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8055
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_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1135
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0928P)^2^+5.6619P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1930
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_reflns_number_gt                4518
_reflns_number_total             8055
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03660k2.cif
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_cod_depositor_comments          'Adding full bibliography for 7041251.cif.'
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_shelx_estimated_absorpt_t_min   0.593
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