<i>catena</i>-Poly[2,4,6-triamino-1,3,5-triazin-1-ium [[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')bismuthate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']]
Sharif, Mahboubeh A.; Aghabozorg, Hossein; Moghim, Abolghasem; Acta Crystallographica Section E 63 (2007) m1599–m1601; doi:10.1107/S1600536807021010

data_2213675
_publ_section_title
;<i>catena</i>-Poly[2,4,6-triamino-1,3,5-triazin-1-ium
 [[aqua(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>,<i>N</i>,<i>O</i>')bismuthate(III)]-\m-pyridine-2,6-dicarboxylato-\k^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']]
;
_journal_coeditor_code           BI2175
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1599
_journal_page_last               m1601
_journal_paper_doi               10.1107/S1600536807021010
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C3 H7 N6) [Bi (C7 H3 N O4)2 (H2 O)]'
_chemical_formula_moiety         'C3 H7 N6 +, C14 H8 Bi N2 O9 -'
_chemical_formula_sum            'C17 H15 Bi N8 O9'
_chemical_formula_weight         684.35
_chemical_name_systematic
;
<i>catena</i>-Poly[2,4,6-triamino-1,3,5-triazin-1-ium
[[aqua(pyridine-2,6-dicarboxylato-\k^3^O,N,O')bismuth(III)]-\m-\
\m~2~-pyridine-2,6-dicarboxylato-\k^4^O,N,O':O']]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.88(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3948(19)
_cell_length_b                   23.351(5)
_cell_length_c                   9.950(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      7
_cell_volume                     2025.6(8)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'XCAD4 (Harms, 1995)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w-\q
_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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5152
_diffrn_reflns_theta_full        27.97
_diffrn_reflns_theta_max         27.97
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    8.778
_exptl_absorpt_correction_T_max  0.645
_exptl_absorpt_correction_T_min  0.195
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.691
_refine_diff_density_min         -1.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4871
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0259
_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^)+(0.0362P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                3715
_reflns_number_total             4871
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2175.cif
_cod_data_source_block           I
_cod_original_cell_volume        2025.6(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2213675
_cod_database_fobs_code          2213675