Poly[[diaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
Zhou, Xiao-Fei; Xiao, Hong-Ping; Zhao, Ya-Juan; Li, Xin-Hua; Acta Crystallographica Section E 69 (2013) m273–m274; doi:10.1107/S1600536813010246

data_2238084
_publ_section_title
;
 Poly[[diaqua(\m~4~-benzene-1,2,4,5-tetracarboxylato)tetrakis(1<i>H</i>-imidazole-\k<i>N</i>^3^)dicopper(II)]
 <i>N</i>,<i>N</i>-dimethylformamide monosolvate]
;
_journal_coeditor_code           XU5689
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m273
_journal_page_last               m274
_journal_paper_doi               10.1107/S1600536813010246
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Cu2 (C10 H2 O8) (C3 H4 N2)4 (H2 O)2], C3 H7 N O'
_chemical_formula_moiety         'C22 H22 Cu2 N8 O10, C3 H7 N O'
_chemical_formula_sum            'C25 H29 Cu2 N9 O11'
_chemical_formula_weight         758.65
_chemical_name_systematic
;Poly[[diaqua(\m~4~-benzene-1,2,4,5-tetracarboxylato)tetrakis(1<i>H</i>-imidazole-\k<i>N</i>^3^)dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide
monosolvate]
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.590(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.999(4)
_cell_length_b                   19.296(8)
_cell_length_c                   18.926(7)
_cell_measurement_reflns_used    4538
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.14
_cell_measurement_theta_min      2.25
_cell_volume                     3076(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \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  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17289
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.56
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.456
_exptl_absorpt_correction_T_max  0.8112
_exptl_absorpt_correction_T_min  0.7306
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.509
_refine_diff_density_min         -0.598
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         5445
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0400
_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^)+(0.0940P)^2^+0.3347P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1533
_reflns_number_gt                4149
_reflns_number_total             5445
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5689.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238084
_cod_database_fobs_code          2238084