Bis[μ-2-(benzyliminomethyl)-4-chlorophenolato]bis[chloridocopper(II)]
Pu, Xiaohua; Zhang, Xinli; Li, Zongxiao; Acta Crystallographica Section E 64 (2008) m216–m216; doi:10.1107/S1600536807061764

data_2217267
_publ_section_title
;
 Bis[\m-2-(benzyliminomethyl)-4-chlorophenolato]bis[chloridocopper(II)]
;
_journal_coeditor_code           RZ2176
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m216
_journal_page_last               m216
_journal_paper_doi               10.1107/S1600536807061764
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (C14 H11 Cl N O)2 Cl2]'
_chemical_formula_moiety         'C28 H22 Cl4 Cu2 N2 O2'
_chemical_formula_sum            'C28 H22 Cl4 Cu2 N2 O2'
_chemical_formula_weight         687.36
_chemical_name_systematic
;
Bis[\m-2-(benzyliminomethyl)-4-chlorophenolato]bis[chloridocopper(II)]
;
_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                 130.724(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.572(3)
_cell_length_b                   9.3964(13)
_cell_length_c                   16.649(2)
_cell_measurement_reflns_used    3416
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.382
_cell_volume                     2676.1(6)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART CCD 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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6545
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    2.020
_exptl_absorpt_correction_T_max  0.548
_exptl_absorpt_correction_T_min  0.379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.284
_refine_diff_density_min         -0.353
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2364
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0263
_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^)+(0.0314P)^2^+2.8567P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                1910
_reflns_number_total             2364
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2176.cif
_cod_data_source_block           I
_cod_original_cell_volume        2676.2(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2217267
_cod_database_fobs_code          2217267