Mitochondria-Accumulating Rhenium(I) Tricarbonyl Complexes Induce Cell Death via Irreversible Oxidative Stress and Glutathione Metabolism Disturbance.
Wang, Fang-Xin; Liang, Jin-Hao; Zhang, Hang; Wang, Ze-Hua; Wan, Qin; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan; ACS applied materials & interfaces 11 (2019) 13123–13133; doi:10.1021/acsami.9b01057

data_4514531
_publ_section_title
;
 Mitochondria-Accumulating Rhenium(I) Tricarbonyl Complexes Induce Cell
 Death via Irreversible Oxidative Stress and Glutathione Metabolism
 Disturbance.
;
_journal_issue                   14
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              13123
_journal_page_last               13133
_journal_paper_doi               10.1021/acsami.9b01057
_journal_volume                  11
_journal_year                    2019
_chemical_formula_moiety         'C64 H40 N8 O6 Re2, 2(F6 P)'
_chemical_formula_sum            'C64 H40 F12 N8 O6 P2 Re2'
_chemical_formula_weight         1679.38
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                116.585(3)
_cell_angle_beta                 106.062(3)
_cell_angle_gamma                95.673(3)
_cell_formula_units_Z            1
_cell_length_a                   10.6178(19)
_cell_length_b                   13.052(2)
_cell_length_c                   13.211(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1519.6(5)
_computing_cell_refinement       RAXIS-RAPID
_computing_data_collection       RAXIS-RAPID
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_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  RAXIS-RAPID
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0647
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14196
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.396
_diffrn_reflns_theta_min         3.078
_exptl_absorpt_coefficient_mu    4.129
_exptl_absorpt_correction_T_max  0.743
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.835
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.177
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.072
_refine_diff_density_max         2.790
_refine_diff_density_min         -1.549
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0394P)^2^+2.1285P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0966
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6115
_reflns_number_total             6839
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am9b01057_si_002.cif
_cod_data_source_block           a
_cod_database_code               4514531
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.529
_shelx_estimated_absorpt_t_max   0.755
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              93240
_shelx_hkl_checksum              44137
_shelx_fab_checksum              73621