Bis(4,4'-bipyridinium) di-μ-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)] octahydrate
Soleimannejad, Janet; Aghabozorg, Hossein; Yaghoub Mohammadzadeh Azar Golenji; Attar Gharamaleki, Jafar; Adams, Harry; Acta Crystallographica Section E 64 (2008) m387–m388; doi:10.1107/S1600536808001372

data_2217666
_publ_section_title
;Bis(4,4'-bipyridinium)
 di-\m-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)]
 octahydrate
;
_journal_coeditor_code           SU2034
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m387
_journal_page_last               m388
_journal_paper_doi               10.1107/S1600536808001372
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'(C10 H9 N2)2 [Sb2 (C7 H3 N O4)2 (O H)6], 8H2 O'
_chemical_formula_moiety         '2C10 H9 N2 +, C14 H12 N2 O14 Sb2 2-, 8H2 O'
_chemical_formula_sum            'C34 H46 N6 O22 Sb2'
_chemical_formula_weight         1134.27
_chemical_name_systematic
;
Bis(4,4'-bipyridinium)
di-\m-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)]
octahydrate
;
_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                92.816(2)
_cell_angle_beta                 97.813(2)
_cell_angle_gamma                114.046(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0149(11)
_cell_length_b                   10.4826(12)
_cell_length_c                   11.0974(12)
_cell_measurement_reflns_used    9637
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.51
_cell_measurement_theta_min      2.26
_cell_volume                     1047.0(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Version 6.1; Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Version 6.1; Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       '\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  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12026
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.63
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.384
_exptl_absorpt_correction_T_max  0.6143
_exptl_absorpt_correction_T_min  0.5875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.704
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0357P)^2^+0.4561P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0597
_reflns_number_gt                4536
_reflns_number_total             4790
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2034.cif
_cod_data_source_block           I
_cod_database_code               2217666
_cod_database_fobs_code          2217666