The inhibitory effects of a new cobalt-based polyoxometalate on the growth of human cancer cells.
Wang, Lu; Yu, Kai; Zhou, Bai-Bin; Su, Zhan-Hua; Gao, Song; Chu, Li-Li; Liu, Jia-Ren; Dalton transactions (Cambridge, England : 2003) 43 (2014) 6070–6078; doi:10.1039/c3dt53030b

data_7029512
_publ_section_title
;
 The inhibitory effects of a new cobalt-based polyoxometalate on the
 growth of human cancer cells.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6070
_journal_page_last               6078
_journal_paper_doi               10.1039/c3dt53030b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety
'2(Bi Co Na2 O45 W10), 2(C3 H4 N2), 2.5(O2), 12(O)'
_chemical_formula_sum            'C6 H8 Bi2 Co2 N4 Na4 O107 W20'
_chemical_formula_weight         6152.74
_chemical_name_systematic
;
?
;
_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                69.4680(10)
_cell_angle_beta                 83.0670(10)
_cell_angle_gamma                64.6840(10)
_cell_formula_units_Z            1
_cell_length_a                   12.4832(5)
_cell_length_b                   13.6886(5)
_cell_length_c                   16.9954(6)
_cell_measurement_reflns_used    6621
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.58
_cell_volume                     2456.99(16)
_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 0.955
_diffrn_measured_fraction_theta_max 0.955
_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  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       16
_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            17826
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    27.339
_exptl_absorpt_correction_T_max  0.004
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            translucent
_exptl_crystal_density_diffrn    4.158
_exptl_crystal_density_meas      4.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.285
_refine_diff_density_min         -11.318
_refine_diff_density_rms         0.578
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         11657
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0533
_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^)+(0.0743P)^2^+118.9127P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1512
_reflns_number_gt                9752
_reflns_number_total             12211
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53030b.txt
_cod_data_source_block           cll0051_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2457.00(16)
_cod_original_sg_symbol_Hall     '-p 1'
_cod_database_code               7029512