<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
Liang Wang; Xiu-Ying Li; Yang Liu; Jian Wang; Acta Crystallographica Section E 63 (2007) m2636–m2636; doi:10.1107/S160053680704723X

data_2215842
_publ_section_title
;<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)copper(II)]-\m-biphenyl-2,2'-dicarboxylato-\k^2^<i>O</i>:<i>O</i>']
 dihydrate]
;
_journal_coeditor_code           CI2473
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2636
_journal_page_last               m2636
_journal_paper_doi               10.1107/S160053680704723X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C14 H8 O4) (C4 H6 N2)2], 2H2 O'
_chemical_formula_moiety         'C22 H20 Cu N4 O4, 2H2 O'
_chemical_formula_sum            'C22 H24 Cu N4 O6'
_chemical_formula_weight         503.99
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-\kN^3^)copper(II)]-
\m-biphenyl-2,2'-dicarboxylato-\k^2^O:O'] dihydrate]
;
_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                 104.65(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7554(18)
_cell_length_b                   17.940(4)
_cell_length_c                   16.116(3)
_cell_measurement_reflns_used    17307
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.01
_cell_volume                     2449.1(9)
_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 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23229
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.935
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.316
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5578
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0432
_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^)+(0.0409P)^2^+1.0153P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1009
_reflns_number_gt                4004
_reflns_number_total             5578
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2473.cif
_cod_data_source_block           I
_cod_original_cell_volume        2449.0(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215842
_cod_database_fobs_code          2215842