Bis(μ~2~-hydroxydi-2-pyridylmethanolato- κ^4^<i>N</i>,<i>O</i>:<i>O</i>,<i>N</i>')bis[(pyridine-κ<i>N</i>)copper(II)] bis(perchlorate)
Li, Ya-Min; Zhang, Jing-Lai; Zhao, Xiao-Wei; Acta Crystallographica Section E 63 (2007) m1510–m1510; doi:10.1107/S1600536807019599

data_2213322
_publ_section_title
;Bis(\m~2~-hydroxydi-2-pyridylmethanolato-
 \k^4^<i>N</i>,<i>O</i>:<i>O</i>,<i>N</i>')bis[(pyridine-\k<i>N</i>)copper(II)]
 bis(perchlorate)
;
_journal_coeditor_code           GK2068
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1510
_journal_page_last               m1510
_journal_paper_doi               10.1107/S1600536807019599
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu2 (C11 H9 N2 O2)2 (C5 H5 N)2] (Cl O4)2'
_chemical_formula_moiety         'C32 H28 Cl2 Cu2 N6 O12 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C32 H28 Cl2 Cu2 N6 O12'
_chemical_formula_weight         886.58
_chemical_name_systematic
;
Bis(\m~2~-hydroxydi-2-pyridylmethanolato-
\k^4^<i>N</i>,O:O,<i>N'</i>)bis[(pyridine-\k<i>N</i>)copper(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           <i>SHELXL97</i>
_cell_angle_alpha                90.00
_cell_angle_beta                 104.034(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2269(6)
_cell_length_b                   15.7136(8)
_cell_length_c                   19.6142(12)
_cell_measurement_reflns_used    8489
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.17
_cell_volume                     3357.0(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25710
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.20
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.502
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.718
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         7663
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0415
_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^)+(0.0526P)^2^+2.8234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                6773
_reflns_number_total             7663
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gk2068.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2213322
_cod_database_fobs_code          2213322