<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc]-μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
Lee, Ju Eun; Lee, Hong-In; Acta Crystallographica Section E 67 (2011) m1172–; doi:10.1107/S1600536811030479

data_2231718
_publ_section_title
;
 <i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)zinc]-\m~2~-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
;
_journal_coeditor_code           WM2511
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1172
_journal_paper_doi               10.1107/S1600536811030479
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn (C2 O4) (C3 H7 N O)2]'
_chemical_formula_moiety         'C8 H14 N2 O6 Zn'
_chemical_formula_sum            'C8 H14 N2 O6 Zn'
_chemical_formula_weight         299.58
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)zinc]-
\m~2~-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2b'
_symmetry_space_group_name_H-M   'P b n a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.7950(10)
_cell_length_b                   9.8090(10)
_cell_length_c                   15.4210(10)
_cell_measurement_reflns_used    839
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      30.4
_cell_measurement_theta_min      5.4
_cell_volume                     1179.1(2)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection
'ADSC Quantum-210 ADX (Arvai & Nielsen, 1983)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CrystalMaker (CrystalMaker Software, 2007)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'ADSC Quantum210'
_diffrn_measurement_method       '\f '
_diffrn_radiation_monochromator  'Si111 double crystal'
_diffrn_radiation_source         '6BIMX-I synchroton beamlin PLS, KOREA'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.90000
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0123
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            839
_diffrn_reflns_theta_full        30.36
_diffrn_reflns_theta_max         30.36
_diffrn_reflns_theta_min         5.40
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.102
_exptl_absorpt_correction_T_max  0.8334
_exptl_absorpt_correction_T_min  0.7574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(HKL2000 SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.688
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.797
_refine_diff_density_min         -0.816
_refine_ls_extinction_coef       0.034(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     81
_refine_ls_number_reflns         839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0577
_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^)+(0.1443P)^2^+0.1456P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1688
_reflns_number_gt                778
_reflns_number_total             839
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2511.cif
_cod_data_source_block           I
_cod_database_code               2231718
_cod_database_fobs_code          2231718