Studies on the structures, cytotoxicity and apoptosis mechanism of 8-hydroxylquinoline rhodium(iii) complexes in T-24 cells
Zhang, Hai-Rong; Liu, Yan-Cheng; Chen, Zhen-Feng; Meng, Ting; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong; New J. Chem. 40 (2016) 6005–; doi:10.1039/C6NJ00182C

data_7055528
_publ_section_title
;
 Studies on the structures, cytotoxicity and apoptosis mechanism of
 8-hydroxylquinoline rhodium(iii) complexes in T-24 cells
;
_journal_issue                   7
_journal_name_full               'New J. Chem.'
_journal_page_first              6005
_journal_paper_doi               10.1039/C6NJ00182C
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C19 H14 Br2 Cl N2 O3 Rh, O'
_chemical_formula_sum            'C19 H14 Br2 Cl N2 O4 Rh'
_chemical_formula_weight         632.50
_chemical_name_systematic
;
 ? 
;
_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
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-04-18
_audit_creation_method
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_audit_update_record
;
2016-04-21 deposited with the CCDC.
2016-04-28 downloaded from the CCDC.
;
_cell_angle_alpha                78.326(6)
_cell_angle_beta                 88.221(5)
_cell_angle_gamma                89.460(6)
_cell_formula_units_Z            2
_cell_length_a                   8.0116(6)
_cell_length_b                   11.7397(10)
_cell_length_c                   12.2484(7)
_cell_measurement_reflns_used    3929
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8693
_cell_measurement_theta_min      3.0103
_cell_volume                     1127.63(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9784
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
  1 omega  -91.00  -60.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.8791 -178.0000   90.0000 31

  2 omega    8.00   39.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291   57.0000   30.0000 31

  3 omega   35.00   61.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291  178.0000 -180.0000 26

  4 omega  -15.00   30.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291   88.0000  122.0000 45

  5 omega  -50.00   37.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291  -57.0000  150.0000 87

  6 omega  -44.00   26.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291  -57.0000   30.0000 70

  7 omega    0.00   87.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291   57.0000  -60.0000 87

  8 omega  -52.00  -21.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.1291  -38.0000  -90.0000 31
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0385423000
_diffrn_orient_matrix_UB_12      0.0535588000
_diffrn_orient_matrix_UB_13      -0.0236819000
_diffrn_orient_matrix_UB_21      0.0542386000
_diffrn_orient_matrix_UB_22      0.0052577000
_diffrn_orient_matrix_UB_23      -0.0476181000
_diffrn_orient_matrix_UB_31      -0.0584345000
_diffrn_orient_matrix_UB_32      -0.0301553000
_diffrn_orient_matrix_UB_33      -0.0259200000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8353
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.445
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.605
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3980
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0655P)^2^+1.4620P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                3359
_reflns_number_total             3980
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6nj00182c2.cif
_cod_data_source_block           czf-zhr-c-rh02-0926
_cod_depositor_comments
'Adding full bibliography for 7055527--7055528.cif.'
_cod_original_cell_volume        1127.64(14)
_cod_database_code               7055528
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32