<i>catena</i>-Poly[bis(μ~4~-adipato-1:2:1':2'κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)bis(<i>N</i>,<i>N</i>-dimethylformamide)-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)]
Wu, Guo-Yun; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1258–; doi:10.1107/S1600536810036093

data_2228115
_publ_section_title
;
 <i>catena</i>-Poly[bis(\m~4~-adipato-1:2:1':2'\k^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)bis(<i>N</i>,<i>N</i>-dimethylformamide)-1\k<i>O</i>,2\k<i>O</i>-dicopper(II)]
;
_journal_coeditor_code           XU5027
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1258
_journal_paper_doi               10.1107/S1600536810036093
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu2 (C6 H8 O4)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C18 H30 Cu2 N2 O10'
_chemical_formula_sum            'C18 H30 Cu2 N2 O10'
_chemical_formula_weight         561.52
_chemical_name_systematic
;
<i>catena</i>-Poly[bis(\m~4~-adipato-
1:2:1':2'\k^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)
bis(<i>N</i>,<i>N</i>-dimethylformamide)-1\k<i>O</i>,2\k<i>O</i>-dicopper(II)]
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.2590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4764(5)
_cell_length_b                   8.2618(5)
_cell_length_c                   15.0990(8)
_cell_measurement_reflns_used    4192
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.0
_cell_measurement_theta_min      2.3
_cell_volume                     1134.85(11)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART APEX diffractometer'
_diffrn_measurement_method       '\w scans'
_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  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5917
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.930
_exptl_absorpt_correction_T_max  0.7606
_exptl_absorpt_correction_T_min  0.4772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.231
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         2428
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+1.1165P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                2153
_reflns_number_total             2428
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5027.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228115
_cod_database_fobs_code          2228115