Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)
Kubono, Koji; Tani, Keita; Yokoi, Kunihiko; Acta Crystallographica Section E 68 (2012) m1430–m1431; doi:10.1107/S1600536812044315

data_2236496
_publ_section_title
;
 Di-\m~2~-acetato-1:2\k^2^<i>O</i>:<i>O</i>';2:3\k^2^<i>O</i>:<i>O</i>'-bis{\m~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2\k^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3\k^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)
;
_journal_coeditor_code           MW2092
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1430
_journal_page_last               m1431
_journal_paper_doi               10.1107/S1600536812044315
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu3 (C19 H18 Cl2 N2 O2)2 (C2 H3 O2)2]'
_chemical_formula_moiety         'C42 H42 Cl4 Cu3 N4 O8'
_chemical_formula_sum            'C42 H42 Cl4 Cu3 N4 O8'
_chemical_formula_weight         1063.25
_chemical_name_systematic
;
Di-\m~2~-acetato-1:2\k^2^<i>O</i>:<i>O</i>';2:3\k^2^<i>O</i>:<i>O</i>'-\
bis{\m~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-\
diylbis(nitrilomethanylylidene)]diphenolato}-\
1:2\k^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';
2:3\k^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   19.0732(18)
_cell_length_b                   11.6191(11)
_cell_length_c                   19.693(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      17.38
_cell_measurement_theta_min      14.99
_cell_volume                     4364.2(9)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2010)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'CrystalStructure (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7325
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.527
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.751
_exptl_absorpt_correction_T_max  0.756
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2164.00
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.448
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5006
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0428P)^2^+0.7391P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                2796
_reflns_number_total             5006
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            mw2092.cif
_cod_data_source_block           I
_cod_database_code               2236496
_cod_database_fobs_code          2236496