Synthesis and Biological Activity of Organoantimony(III)-Containing Heteropolytungstates
Maria Barsukova-Stuckart; Luis F. Piedra-Garza; Bimersha Gautam; Gabriela Alfaro-Espinoza; Natalya V. Izarova; Abhishek Banerjee; Bassem S. Bassil; Matthias S. Ullrich; Hans J. Breunig; Cristian Silvestru; Ulrich Kortz; Inorganic Chemistry 51 (2012) 12015–12022; doi:10.1021/ic301892s

data_4330966
_publ_contact_author_address
;
Jacobs University, School of Engineering and Science, 
P.O. Box 750 561, 28725 Bremen, Germany
;
_publ_contact_author_email       u.kortz@jacobs-university.de
_publ_contact_author_name        'Ulrich Kortz'
_publ_section_title
;
 Synthesis and Biological Activity of Organoantimony(III)-Containing
 Heteropolytungstates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12015
_journal_page_last               12022
_journal_paper_doi               10.1021/ic301892s
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C24 H108 Ge2 N12 O88 Sb4 W18'
_chemical_formula_weight         5914.70
_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                74.469(3)
_cell_angle_beta                 77.786(3)
_cell_angle_gamma                88.189(3)
_cell_formula_units_Z            2
_cell_length_a                   13.8872(10)
_cell_length_b                   17.9325(14)
_cell_length_c                   20.7047(14)
_cell_measurement_reflns_used    7907
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.12
_cell_measurement_theta_min      3.00
_cell_volume                     4853.7(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.1202
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            117644
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         3.41
_exptl_absorpt_coefficient_mu    23.054
_exptl_absorpt_correction_T_max  0.2205
_exptl_absorpt_correction_T_min  0.0458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    4.047
_exptl_crystal_description       plate
_exptl_crystal_F_000             5280
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.689
_refine_diff_density_min         -2.188
_refine_diff_density_rms         0.412
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     629
_refine_ls_number_reflns         16429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1116
_refine_ls_R_factor_gt           0.0549
_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^)+(0.0700P)^2^+190.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1667
_reflns_number_gt                10211
_reflns_number_total             16429
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301892s_si_002_1.cif
_cod_data_source_block           1516lp
_cod_database_code               4330966