Poly[bis(4-formamidopyridinium) hydronium hexacosaoxosodiooctamolybdate pentahydrate]
Bo Liu; Chuan-Bi Li; Zhou Shi; Yan-Wei Li; Acta Crystallographica Section E 62 (2006) m2656–m2658; doi:10.1107/S160053680603738X

data_2210592
_publ_section_title
;
 Poly[bis(4-formamidopyridinium) hydronium
 hexacosaoxosodiooctamolybdate pentahydrate]
;
_journal_coeditor_code           FI2009
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2656
_journal_page_last               m2658
_journal_paper_doi               10.1107/S160053680603738X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '(C6 H7 N2 O)2 (H3 O1) [Mo8 Na O26], 5H2 O'
_chemical_formula_moiety         '2C6 H7 N2 O +, H3 O1 +, Mo8 Na O26 3-, 5H2 O'
_chemical_formula_sum            'C12 H27 Mo8 N4 Na O34'
_chemical_formula_weight         1561.89
_chemical_name_systematic
;
Poly[bis(4-formylpyridinium) hydronium hexacosaoxosodiooctamolybdate
pentahydrate]
;
_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                87.1615(8)
_cell_angle_beta                 74.7298(8)
_cell_angle_gamma                63.9588(7)
_cell_formula_units_Z            1
_cell_length_a                   9.2223(5)
_cell_length_b                   9.8307(5)
_cell_length_c                   11.7818(6)
_cell_measurement_reflns_used    2347
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      1.80
_cell_volume                     923.14(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_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 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker SMART APEX-II CCD'
_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  0.0131
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4918
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.80
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.757
_exptl_absorpt_correction_T_max  0.605
_exptl_absorpt_correction_T_min  0.442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.809
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.262
_exptl_crystal_size_mid          0.249
_exptl_crystal_size_min          0.162
_refine_diff_density_max         1.020
_refine_diff_density_min         -2.535
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3537
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0466
_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^)+(0.0364P)^2^+17.5658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1180
_reflns_number_gt                2925
_reflns_number_total             3537
_reflns_threshold_expression     I>\2s(I)
_cod_data_source_file            fi2009.cif
_cod_data_source_block           I
_cod_database_code               2210592
_cod_database_fobs_code          2210592