Inhibitory effects of different substituted transition metal-based krebs-type sandwich structures on human hepatocellular carcinoma cells.
Wang, Lu; Yu, K.; Zhu, J.; Zhou, B. B.; Liu, J. R.; Yang, G. Y.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2874–2883; doi:10.1039/c6dt02420c

data_7041873
_publ_section_title
;
 Inhibitory effects of different substituted transition metal-based
 krebs-type sandwich structures on human hepatocellular carcinoma cells.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2874
_journal_page_last               2883
_journal_paper_doi               10.1039/c6dt02420c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C6 H82 Bi2 N4 Na4 Ni3 O105.5 W19'
_chemical_formula_sum            'C6 H82 Bi2 N4 Na4 Ni3 O105.5 W19'
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_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   mixed
_audit_block_doi                 10.5517/cc1jmqnj
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-11-30 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;
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_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'
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_computing_structure_solution    'SHELXS 2014'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30014
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         3.306
_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.537
_refine_diff_density_min         -2.513
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+28.9560P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.1092
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8385
_reflns_number_total             9943
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt02420c2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7041872--7041873.cif.'
_cod_original_cell_volume        2437.71(18)
_cod_database_code               7041873
_shelx_shelxl_version_number     2014/7
_exptl_absorpt_special_details
; 
 "SADABS v.2.10 (Bruker, 2003) was used for absorption correction. R(int) was 0.1032 before and 0.0534 after correction. The Ratio of minimum to maximum transmission is 0.2528. The \l/2 correction factor is 0.0015." 
;
_shelx_res_checksum              92117