Remarkable in vitro bactericidal activity of bismuth(III) sulfonates against Helicobacter pylori.
Andrews, Philip C.; Busse, Madleen; Deacon, Glen B.; Ferrero, Richard L.; Junk, Peter C.; MacLellan, Jonathan G.; Vom, Amelia; Dalton transactions (Cambridge, England : 2003) 41 (2012) 11798–11806; doi:10.1039/c2dt31360j

data_7030148
_publ_section_title
;
 Remarkable in vitro bactericidal activity of bismuth(III) sulfonates
 against Helicobacter pylori.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11798
_journal_page_last               11806
_journal_paper_doi               10.1039/c2dt31360j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C180 H232 Bi8 O74 S22, 7(C7 H8)'
_chemical_formula_sum            'C229 H288 Bi8 O74 S22'
_chemical_formula_weight         6601.75
_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                111.94(3)
_cell_angle_beta                 109.06(3)
_cell_angle_gamma                96.95(3)
_cell_formula_units_Z            1
_cell_length_a                   18.138(4)
_cell_length_b                   18.677(4)
_cell_length_c                   22.273(5)
_cell_measurement_reflns_used    29770
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      0.41
_cell_volume                     6356(4)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-Seed / POV-Ray'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.1114
_diffrn_reflns_av_sigmaI/netI    0.1731
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            67747
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.64
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.780
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.820730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3270
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.653
_refine_diff_density_min         -1.313
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1418
_refine_ls_number_reflns         21967
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.1400
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0306P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.1069
_reflns_number_gt                12728
_reflns_number_total             21967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31360j.txt
_cod_data_source_block           import
_cod_original_cell_volume        6355(2)
_cod_database_code               7030148