Tetrakis[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']tetrakis(μ-methanolato-κ^2^<i>O</i>:<i>O</i>)bis(μ-perchlorato-κ^2^<i>O</i>:<i>O</i>')tetracopper(II) bis(perchlorate)
Yeh, Chun-Wei; Huang, Fu-Chang; Jong, Ay; Suen, Maw-Cherng; Acta Crystallographica Section E 67 (2011) m1080–m1081; doi:10.1107/S160053681102705X

data_2231364
_publ_section_title
;
 Tetrakis[\m-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']tetrakis(\m-methanolato-\k^2^<i>O</i>:<i>O</i>)bis(\m-perchlorato-\k^2^<i>O</i>:<i>O</i>')tetracopper(II)
 bis(perchlorate)
;
_journal_coeditor_code           XU5263
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1080
_journal_page_last               m1081
_journal_paper_doi               10.1107/S160053681102705X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Cu4 (C12 H12 N2 O2)4 (C H3 O)4 (Cl O4)2] (Cl O4)2'
_chemical_formula_moiety         'C52 H60 Cl2 Cu4 N8 O20 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C52 H60 Cl4 Cu4 N8 O28'
_chemical_formula_weight         1641.04
_chemical_name_systematic
;
Tetrakis[\m-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-
\k^2^<i>N</i>:<i>N</i>']tetrakis(\m-methanolato-\k^2^<i>O</i>:<i>O</i>)bis(\m-
perchlorato-\k^2^<i>O</i>:<i>O</i>')tetracopper(II) bis(perchlorate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.936(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3508(8)
_cell_length_b                   16.9820(18)
_cell_length_c                   22.337(2)
_cell_measurement_reflns_used    3303
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      23.923
_cell_measurement_theta_min      2.185
_cell_volume                     3160.2(5)
_computing_cell_refinement       'SAINT (Bruker, 2010)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT (Bruker, 2010)'
_computing_molecular_graphics    'DAIMOND (Brandenburg, 2010)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0774
_diffrn_reflns_av_sigmaI/netI    0.0991
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            17717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.591
_exptl_absorpt_correction_T_max  0.8968
_exptl_absorpt_correction_T_min  0.6469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.653
_refine_diff_density_min         -1.302
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1294
_refine_ls_R_factor_gt           0.0579
_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^)+(0.0854P)^2^+5.5939P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1440
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                3428
_reflns_number_total             6219
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5263.cif
_cod_data_source_block           I
_cod_original_cell_volume        3160.1(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2231364
_cod_database_fobs_code          2231364