<i>catena</i>-Poly[[[bis(2-pyridone-κ<i>O</i>)sodium]-di-μ-2-pyridone-κ^4^<i>O</i>:<i>O</i>] tetrafluoroborate]
Gareth R. Owen; Mairi F. Haddow; Acta Crystallographica Section E 63 (2007) m83–m85; doi:10.1107/S1600536806051567

data_2211875
_publ_section_title
;<i>catena</i>-Poly[[[bis(2-pyridone-\k<i>O</i>)sodium]-di-\m-2-pyridone-\k^4^<i>O</i>:<i>O</i>]
 tetrafluoroborate]
;
_journal_coeditor_code           KP2072
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m83
_journal_page_last               m85
_journal_paper_doi               10.1107/S1600536806051567
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Na (C5 H5 N1 O1)4] B F4'
_chemical_formula_moiety         'C20 H20 N4 Na O4 +, B F4 -'
_chemical_formula_sum            'C20 H20 B F4 N4 Na O4'
_chemical_formula_weight         490.20
_chemical_name_systematic
;
catena-Poly[[[bis(2-pyridone-\kO)sodium]-di-\m-2-pyridone-\k^4^O:O]
tetrafluoroborate]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 90.322(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2259(12)
_cell_length_b                   13.521(2)
_cell_length_c                   22.655(4)
_cell_measurement_reflns_used    5374
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.806
_cell_measurement_theta_min      2.349
_cell_volume                     2213.4(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.2
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0759
_diffrn_reflns_av_sigmaI/netI    0.0716
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            22997
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.141
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.307
_refine_diff_density_min         -0.262
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5053
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0652
_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^)+(0.0576P)^2^+1.6958P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1468
_reflns_number_gt                3175
_reflns_number_total             5053
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2072.cif
_cod_data_source_block           I
_cod_original_cell_volume        2213.5(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2211875
_cod_database_fobs_code          2211875