<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)cadmium(II)]-μ~2~-oxalato]
Borel, Cédric; Langer, Vratislav; Arnehed, Johan; Leikvoll, Lisette; Ghazzali, Mohamed; Acta Crystallographica Section E 64 (2008) m185–m185; doi:10.1107/S1600536807066147

data_2216915
_publ_section_title
<i>catena</i>-Poly[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)cadmium(II)]-\m~2~-oxalato]
_journal_coeditor_code           BI2270
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m185
_journal_page_last               m185
_journal_paper_doi               10.1107/S1600536807066147
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cd (C2 O4) (C3 H7 N O)2]'
_chemical_formula_moiety         'C8 H14 Cd N2 O6'
_chemical_formula_sum            'C8 H14 Cd N2 O6'
_chemical_formula_weight         346.61
_chemical_name_systematic
;
catena-Poly[[bis(<i>N</i>,<i>N</i>'-dimethylformamide)cadmium(II)]-
\m-oxalato]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                   15.153(4)
_cell_length_b                   8.006(2)
_cell_length_c                   10.403(3)
_cell_measurement_reflns_used    2301
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      32.9
_cell_measurement_theta_min      2.7
_cell_volume                     1262.0(6)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2007)'
_computing_publication_material  'SHELXTL (Bruker, 2003)'
_computing_structure_refinement  'SHELXTL (Bruker, 2003)'
_computing_structure_solution    'SHELXTL (Bruker, 2003)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \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  0.0548
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19498
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         32.88
_diffrn_reflns_theta_min         2.69
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.748
_exptl_absorpt_correction_T_max  0.718
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.281
_refine_diff_density_min         -0.746
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     80
_refine_ls_number_reflns         2301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0248
_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^)+(0.0446P)^2^+0.4422P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                1705
_reflns_number_total             2301
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2270.cif
_cod_data_source_block           I
_cod_database_code               2216915
_cod_database_fobs_code          2216915