A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action
Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian; Chemical Science 5 (2014) 2761–; doi:10.1039/c4sc00384e

data_1516031
_publ_section_title
;
 A mitochondrion-targeting copper complex exhibits potent cytotoxicity
 against cisplatin-resistant tumor cells through multiple mechanisms of
 action
;
_journal_issue                   7
_journal_name_full               'Chemical Science'
_journal_page_first              2761
_journal_paper_doi               10.1039/c4sc00384e
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         'C40 H31 Br3 Cu N3 O P'
_chemical_formula_sum            'C40 H31 Br3 Cu N3 O P'
_chemical_formula_weight         903.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 98.136(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            16
_cell_length_a                   18.610(5)
_cell_length_b                   17.503(5)
_cell_length_c                   46.898(5)
_cell_measurement_reflns_used    4389
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.50
_cell_measurement_theta_min      2.17
_cell_volume                     15122(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
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_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            38013
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_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    3.826
_exptl_absorpt_correction_T_max  0.7009
_exptl_absorpt_correction_T_min  0.3932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piller
_exptl_crystal_F_000             7184
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.643
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         13404
_refine_ls_number_restraints     12
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_refine_ls_R_factor_all          0.1592
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_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2343
_refine_ls_wR_factor_ref         0.2537
_reflns_number_gt                6050
_reflns_number_total             13404
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4sc00384e2.cif
_cod_data_source_block           zw
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 1516031.cif.
;
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               1516031