Photorelease and Cellular Delivery of Mitocurcumin from Its Cytotoxic Cobalt(III) Complex in Visible Light.
Garai, Aditya; Pant, Ila; Banerjee, Samya; Banik, Bhabatosh; Kondaiah, Paturu; Chakravarty, Akhil R.; Inorganic chemistry 55 (2016) 6027–6035; doi:10.1021/acs.inorgchem.6b00554

data_4347745
_publ_section_title
;
 Photorelease and Cellular Delivery of Mitocurcumin from Its Cytotoxic
 Cobalt(III) Complex in Visible Light.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6027
_journal_page_last               6035
_journal_paper_doi               10.1021/acs.inorgchem.6b00554
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C56 H74 Cl3 Co N2 O8'
_chemical_formula_weight         1068.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                84.955(12)
_cell_angle_beta                 83.52(3)
_cell_angle_gamma                88.33(2)
_cell_formula_units_Z            2
_cell_length_a                   9.666(2)
_cell_length_b                   15.854(4)
_cell_length_c                   18.056(3)
_cell_measurement_reflns_used    6488
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.653
_cell_measurement_theta_min      25
_cell_volume                     2738.1(10)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker Smart CCD Area Detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0886
_diffrn_reflns_av_unetI/netI     0.1372
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43455
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.956
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.653
_diffrn_reflns_theta_min         1.139
_exptl_absorpt_coefficient_mu    0.514
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_description       block
_exptl_crystal_F_000             1132
_refine_diff_density_max         1.162
_refine_diff_density_min         -1.509
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         12224
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1777
_refine_ls_R_factor_gt           0.0945
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1508P)^2^+4.2286P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2496
_refine_ls_wR_factor_ref         0.3024
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6488
_reflns_number_total             12224
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b00554_si_002.cif
_cod_data_source_block           arc
_cod_database_code               4347745
_shelxl_version_number           2013-4
_shelx_res_checksum              12715
_shelx_hkl_checksum              83472