Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine-κ<i>N</i>^1^)copper(II)](<i>Cu</i>—<i>Cu</i>)
Chang, Hui-Chang; Cole, Jacqueline M.; Lin, Tze-Chia; Waddell, Paul G.; Acta Crystallographica Section E 67 (2011) m691–; doi:10.1107/S1600536811015662

data_2230221
_publ_section_title
;
 Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine-\k<i>N</i>^1^)copper(II)](<i>Cu</i>---<i>Cu</i>)
;
_journal_coeditor_code           BH2343
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m691
_journal_paper_doi               10.1107/S1600536811015662
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu2 (C2 H3 O2)4 (C5 H4 Cl2 N2)2]'
_chemical_formula_moiety         'C18 H20 Cl4 Cu2 N4 O8'
_chemical_formula_sum            'C18 H20 Cl4 Cu2 N4 O8'
_chemical_formula_weight         689.26
_chemical_name_systematic
;Tetra-\m-acetato-\k^8^<i>O</i>:<i>O</i>'-bis[(2-amino-3,5-dichloropyridine-
\k<i>N</i>^1^)copper(II)](<i>Cu</i>---<i>Cu</i>)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 103.07(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2857(17)
_cell_length_b                   17.010(3)
_cell_length_c                   9.3159(19)
_cell_measurement_reflns_used    6896
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      36.6457
_cell_measurement_theta_min      4.7821
_cell_volume                     1279.0(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2008)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       \w
_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  0.0315
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18645
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         4.78
_exptl_absorpt_coefficient_mu    2.131
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.79
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.346
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     166
_refine_ls_number_reflns         3028
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0389P)^2^+0.9376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.077
_reflns_number_gt                2996
_reflns_number_total             3028
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2343.cif
_cod_data_source_block           I
_cod_original_cell_volume        1279.0(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230221
_cod_database_fobs_code          2230221