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_7055527
_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         'C27 H18 N3 O3 Rh, C H4 O'
_chemical_formula_sum            'C28 H22 N3 O4 Rh'
_chemical_formula_weight         567.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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                90.00
_cell_angle_beta                 117.0280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.93140(10)
_cell_length_b                   13.1412(2)
_cell_length_c                   18.7929(3)
_cell_measurement_reflns_used    6646
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7051
_cell_measurement_theta_min      2.8525
_cell_volume                     2404.79(6)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -76.00  -40.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6216  -38.0000   30.0000 36

  2 omega  -26.00   -1.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6216  -93.0000  141.0000 25

  3 omega  -51.00   33.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7935  -38.0000  -90.0000 84

  4 omega  -18.00   60.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7935 -100.0000 -167.0000 78

  5 omega   66.00   95.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7935 -178.0000  120.0000 29

  6 omega   -3.00   26.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       18.7935   57.0000  -60.0000 29
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0243629000
_diffrn_orient_matrix_UB_12      0.0220775000
_diffrn_orient_matrix_UB_13      -0.0371929000
_diffrn_orient_matrix_UB_21      0.0303271000
_diffrn_orient_matrix_UB_22      0.0464178000
_diffrn_orient_matrix_UB_23      0.0118108000
_diffrn_orient_matrix_UB_31      0.0527396000
_diffrn_orient_matrix_UB_32      -0.0164899000
_diffrn_orient_matrix_UB_33      -0.0165155000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0311
_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       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12805
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.10
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.751
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92904
_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    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4921
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0258P)^2^+1.4321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0685
_reflns_number_gt                4277
_reflns_number_total             4921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6nj00182c2.cif
_cod_data_source_block           czf-zhr-l1-rh-01
_cod_depositor_comments
'Adding full bibliography for 7055527--7055528.cif.'
_cod_database_code               7055527
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32