<i>catena</i>-Poly[[bis(4-methoxybenzoato)copper(II)]-μ-1,1'-(oxydiethylene)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
Guo-Hua Wei; Lai-Ping Zhang; Ji-Chen Ma; Jin Yang; Acta Crystallographica Section E 63 (2007) m2866–m2866; doi:10.1107/S1600536807053007

data_2215764
_publ_section_title
<i>catena</i>-Poly[[bis(4-methoxybenzoato)copper(II)]-\m-1,1'-(oxydiethylene)diimidazole-\k^2^<i>N</i>^3^:<i>N</i>^3'^]
_journal_coeditor_code           BG2121
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2866
_journal_page_last               m2866
_journal_paper_doi               10.1107/S1600536807053007
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C7 H4 O3)2 (C10 H14 N4 O)]'
_chemical_formula_moiety         'C26 H28 Cu N4 O7'
_chemical_formula_sum            'C26 H28 Cu N4 O7'
_chemical_formula_weight         572.06
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(4-methoxybenzoato)copper(II)]-\m-1,1'-\
(oxydiethylene)diimidazole-\k^2^N^3^:N^3'^]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 101.44(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.866(13)
_cell_length_b                   7.699(4)
_cell_length_c                   15.519(8)
_cell_measurement_reflns_used    8430
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      3.0
_cell_volume                     2561(2)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotor target'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11978
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.477
_exptl_crystal_size_min          0.055
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         2899
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0488
_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^)+(0.0869P)^2^+1.4878P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1418
_refine_ls_wR_factor_ref         0.1551
_reflns_number_gt                2106
_reflns_number_total             2899
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2121.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215764
_cod_database_fobs_code          2215764