<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)iron(II)]-μ-oxalato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']
Hua-Gang Yao; Min Ji; Sou-Hua Ji; Yong-Lin An; Acta Crystallographica Section E 63 (2007) m1349–m1350; doi:10.1107/S1600536807016789

data_2213426
_publ_section_title
<i>catena</i>-Poly[[bis(pyridine-\k<i>N</i>)iron(II)]-\m-oxalato-\k^2^<i>O</i>,<i>O</i>':\k^2^<i>O</i>'',<i>O</i>''']
_journal_coeditor_code           KP2094
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1349
_journal_page_last               m1350
_journal_paper_doi               10.1107/S1600536807016789
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Fe (C2 O4) (C5 H5 N)2]'
_chemical_formula_moiety         'C12 H10 Fe N2 O4'
_chemical_formula_sum            'C12 H10 Fe N2 O4'
_chemical_formula_weight         302.07
_chemical_name_systematic
;
catena-poly[[bis(pyridine)iron(II)]-\m-oxalato-\k^2^O,O':\k^2^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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.688(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.714(6)
_cell_length_b                   8.895(6)
_cell_length_c                   15.359(10)
_cell_measurement_reflns_used    4154
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.58
_cell_measurement_theta_min      3.11
_cell_volume                     1326.5(15)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_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      273(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART APEXII 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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12351
_diffrn_reflns_theta_full        31.56
_diffrn_reflns_theta_max         31.56
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.147
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.287
_refine_ls_abs_structure_details 'Flack (1983), with how many Friedel pairs?'
_refine_ls_abs_structure_Flack   0.002(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         4354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0519P)^2^+0.1013P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                3281
_reflns_number_total             4354
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kp2094.cif
_cod_data_source_block           I
_cod_original_cell_volume        1326.5(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2213426
_cod_database_fobs_code          2213426