Novel Antitumor Agent, Trilacunary Keggin-Type Tungstobismuthate, Inhibits Proliferation and Induces Apoptosis in Human Gastric Cancer SGC-7901 Cells
Lu Wang; Bai-Bin Zhou; Kai Yu; Zhan-Hua Su; Song Gao; Li-Li Chu; Jia-Ren Liu; Guo-Yu Yang; Inorganic Chemistry 52 (2013) 5119–5127; doi:10.1021/ic400019r

data_4334647
_publ_section_title
;
 Novel Antitumor Agent, Trilacunary Keggin-Type Tungstobismuthate,
 Inhibits Proliferation and Induces Apoptosis in Human Gastric Cancer
 SGC-7901 Cells
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5119
_journal_page_last               5127
_journal_paper_doi               10.1021/ic400019r
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C6 H86 Bi2 Mn2 N4 Na4 O104 W20'
_chemical_formula_weight         6175.59
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                69.629(2)
_cell_angle_beta                 83.356(2)
_cell_angle_gamma                64.836(2)
_cell_formula_units_Z            1
_cell_length_a                   12.4895(6)
_cell_length_b                   13.7523(6)
_cell_length_c                   17.0756(8)
_cell_measurement_reflns_used    2099
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.77
_cell_measurement_theta_min      2.47
_cell_volume                     2486.7(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_sigmaI/netI    0.1087
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19199
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    26.930
_exptl_absorpt_correction_T_max  0.018
_exptl_absorpt_correction_T_min  0.011
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            translucent
_exptl_crystal_density_diffrn    4.124
_exptl_crystal_F_000             2722
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.372
_refine_diff_density_min         -8.453
_refine_diff_density_rms         0.613
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11789
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0665
_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^)+(0.0689P)^2^+122.6268P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1481
_refine_ls_wR_factor_ref         0.1768
_reflns_number_gt                7639
_reflns_number_total             11789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400019r_si_001.cif
_cod_data_source_block           cll003_0m
_cod_database_code               4334647