Poly[(μ~2~-<i>N</i>,<i>N</i>-dimethylformamide-κ^2^<i>O</i>:<i>O</i>)(μ~4~-terephthalato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')iron(II)]
Lu, Hui; Fu, Yun-Long; Zhang, Yu; Ng, Seik Weng; Acta Crystallographica Section E 63 (2007) m2534–m2534; doi:10.1107/S1600536807044091

data_2215379
_publ_section_title
Poly[(\m~2~-<i>N</i>,<i>N</i>-dimethylformamide-\k^2^<i>O</i>:<i>O</i>)(\m~4~-terephthalato-\k^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')iron(II)]
_journal_coeditor_code           BT2503
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2534
_journal_page_last               m2534
_journal_paper_doi               10.1107/S1600536807044091
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Fe (C8 H4 O4) (C3 H7 N O)]'
_chemical_formula_moiety         '(C8 H4 O4) (C3 H7 N O) Fe'
_chemical_formula_sum            'C11 H11 Fe N O5'
_chemical_formula_weight         293.06
_chemical_name_systematic
;
Poly[(\m~2~-<i>N</i>,<i>N</i>-dimethylformamide-\k^2^<i>O</i>:<i>O</i>)(
\m~4~-terephthalato-\k^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')iron(II)]
;
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3652(15)
_cell_length_b                   7.2856(6)
_cell_length_c                   8.8571(7)
_cell_measurement_reflns_used    2096
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.5
_cell_measurement_theta_min      2.5
_cell_volume                     1249.62(17)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
'Atomic coordinates taken from Fu <i>et al.</i> (2004)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX area-detector diffractometer'
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3421
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.218
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.732
_refine_diff_density_min         -0.660
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     63
_refine_ls_number_reflns         791
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0404
_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^)+(0.0721P)^2^+1.8869P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                730
_reflns_number_total             791
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2503.cif
_cod_data_source_block           I
_cod_database_code               2215379
_cod_database_fobs_code          2215379