Poly[4,4'-iminodipyridinium [tetra-μ~3~-oxido-tetraoxido-di-μ~4~-phosphato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''-tetravanadium(V)]]
Farnum, Gregory A.; LaDuca, Robert L.; Acta Crystallographica Section E 64 (2008) m1602–; doi:10.1107/S1600536808038348

data_2220369
_publ_section_title
;Poly[4,4'-iminodipyridinium
 [tetra-\m~3~-oxido-tetraoxido-di-\m~4~-phosphato-\k^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''-tetravanadium(V)]]
;
_journal_coeditor_code           TK2326
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1602
_journal_paper_doi               10.1107/S1600536808038348
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '(C10 H11 N3) [V4 O8 (P O4)2]'
_chemical_formula_moiety         'C10 H11 N3 2+, O16 P2 V4 2-'
_chemical_formula_sum            'C10 H11 N3 O16 P2 V4'
_chemical_formula_weight         694.92
_chemical_name_systematic
;
Poly[4,4'-iminodipyridinium
[tetra-\m~3~-oxido-tetraoxidodi-\m~4~-phosphato-
\k^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''-tetravanadium(V)]]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 94.363(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4431(10)
_cell_length_b                   14.524(2)
_cell_length_c                   18.825(3)
_cell_measurement_reflns_used    21687
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      1.8
_cell_volume                     2029.2(5)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    '<i>CrystalMaker</i> (Palmer, 2007)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker SMART 1K'
_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  0.047
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21687
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         28.2
_diffrn_reflns_theta_min         1.8
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.035
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.03
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4652
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.09
_refine_ls_R_factor_all          0.054
_refine_ls_R_factor_gt           0.038
_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^)+(0.0382P)^2^+6.7132P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.094
_refine_ls_wR_factor_ref         0.101
_reflns_number_gt                3678
_reflns_number_total             4652
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2326.cif
_cod_data_source_block           I
_cod_original_cell_volume        2029.1(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2220369
_cod_database_fobs_code          2220369