<i>catena</i>-Poly[bis(4-chlorobenzoato)copper(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Xue, Lin; Che, Yun-Xia; Zheng, Ji-Min; Acta Crystallographica Section E 62 (2006) m2750–m2752; doi:10.1107/S1600536806038761

data_2210801
_publ_section_title
<i>catena</i>-Poly[bis(4-chlorobenzoato)copper(II)]-\m-4,4-bipyridine-\k^2^<i>N</i>:<i>N</i>']
_journal_coeditor_code           TK2078
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2750
_journal_page_last               m2752
_journal_paper_doi               10.1107/S1600536806038761
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C7 H4 Cl O2)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C24 H16 Cl2 Cu N2 O4'
_chemical_formula_sum            'C24 H16 Cl2 Cu N2 O4'
_chemical_formula_weight         530.83
_chemical_name_systematic
;
catena-Poly[bis(4-chlorobenzoatocopper(II)]-\m-4,4-bipyridine-\k^2^N:N']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.17(3)
_cell_angle_beta                 94.31(3)
_cell_angle_gamma                100.11(3)
_cell_formula_units_Z            1
_cell_length_a                   5.4005(11)
_cell_length_b                   8.9359(18)
_cell_length_c                   12.019(2)
_cell_measurement_reflns_used    5107
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     552.0(2)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 2004)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP area-detector'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.040
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5484
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.3
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.267
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             269
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.07
_refine_ls_R_factor_all          0.040
_refine_ls_R_factor_gt           0.037
_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^)+(0.0478P)^2^+0.1853P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.093
_refine_ls_wR_factor_ref         0.095
_reflns_number_gt                2325
_reflns_number_total             2510
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2078.cif
_cod_data_source_block           I
_cod_original_cell_volume        551.97(18)
_cod_database_code               2210801
_cod_database_fobs_code          2210801