Bis[μ-4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenolato]dicopper(II)
Kubono, Koji; Noshita, Chisato; Tani, Keita; Yokoi, Kunihiko; Acta Crystallographica Section E 65 (2009) m1685–m1686; doi:10.1107/S1600536809049800

data_2224207
_publ_section_title
Bis[\m-4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenolato]dicopper(II)
_journal_coeditor_code           FK2007
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1685
_journal_page_last               m1686
_journal_paper_doi               10.1107/S1600536809049800
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu2 (C18 H16 Cl4 N2 O2)2]'
_chemical_formula_moiety         'C36 H32 Cl8 Cu2 N4 O4'
_chemical_formula_sum            'C36 H32 Cl8 Cu2 N4 O4'
_chemical_formula_weight         995.36
_chemical_name_systematic
;
Bis[\m-4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-
diyldimethylene)diphenolato]dicopper(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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 121.140(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   20.1772(18)
_cell_length_b                   15.3901(18)
_cell_length_c                   15.1397(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      13.4
_cell_volume                     4023.9(7)
_computing_cell_refinement       'WinAFC (Rigaku/MSC, 2006)'
_computing_data_collection       'WinAFC (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'CrystalStructure (Rigaku/MSC, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4759
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.67
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.633
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             2008.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4634
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max_lt       0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0378P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                2574
_reflns_number_total             4634
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fk2007.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2224207
_cod_database_fobs_code          2224207