Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4{-}) dihydrate
De-Wu Sun; Hong-Ju Zhai; Acta Crystallographica Section E 62 (2006) m2937–m2939; doi:10.1107/S1600536806040578

data_2211123
_publ_section_title
;
 Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+)
 dodecamolybdogermanate(4{-}) dihydrate
;
_journal_coeditor_code           MG2004
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2937
_journal_page_last               m2939
_journal_paper_doi               10.1107/S1600536806040578
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'(C10 H10 N2) (C10 H9 N2)2 [Ge Mo12 O40] , 2H2 O'
_chemical_formula_moiety
'Ge Mo12 O40 4- , C10 H10 N2 2+ , 2C10 H9 N2 + , 2H2 O'
_chemical_formula_sum            'C30 H32 Ge Mo12 N6 O42'
_chemical_formula_weight         2372.51
_chemical_name_common
;
Bis-[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4-)
dihydrate
;
_chemical_name_systematic
;
Bis[4,4'-bipyridinium(1+)] 4,4'-bipyridinium(2+) dodecamolybdogermanate(4-)
dihydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.370(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.214(2)
_cell_length_b                   18.215(3)
_cell_length_c                   21.231(3)
_cell_measurement_reflns_used    8347
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      1.60
_cell_volume                     5724.1(15)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0447
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15147
_diffrn_reflns_theta_full        26.08
_diffrn_reflns_theta_max         26.08
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.161
_exptl_absorpt_correction_T_max  0.585
_exptl_absorpt_correction_T_min  0.452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4504
_exptl_crystal_size_max          0.272
_exptl_crystal_size_mid          0.243
_exptl_crystal_size_min          0.172
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.771
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         5612
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0379
_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^)+(0.0391P)^2^+10.584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                4264
_reflns_number_total             5612
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mg2004.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2211123
_cod_database_fobs_code          2211123