The Copper(II) Complex with Two Didentate Schiff Base Ligands. The Unique Rearrangment that Proceeds under Alcohol Vapor in the Solid State to Construct Noninclusion Structure
Shibuya, Yuhki; Nabari, Keiko; Kondo, Mitsuru; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Kawaguchi, Hiroyuki; Chemistry Letters 37 (2008) 78–; doi:10.1246/cl.2008.78

data_8000193
_publ_section_title
;
 The Copper(II) Complex with Two Didentate Schiff Base Ligands. The Unique
 Rearrangment that Proceeds under Alcohol Vapor in the Solid State to
 Construct Noninclusion Structure
;
_journal_issue                   1
_journal_name_full               'Chemistry Letters'
_journal_page_first              78
_journal_paper_doi               10.1246/cl.2008.78
_journal_volume                  37
_journal_year                    2008
_chemical_formula_moiety         'C26 H20 Cu N2 O4 '
_chemical_formula_sum            'C26 H20 Cu N2 O4'
_chemical_formula_weight         488.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.008(18)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.826(6)
_cell_length_b                   15.11(3)
_cell_length_c                   15.174(9)
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      14.6
_cell_measurement_theta_min      1.2
_cell_volume                     2250(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.085
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18326
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_exptl_absorpt_coefficient_mu    1.007
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.556
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1004.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.18
_refine_diff_density_min         -1.85
_refine_ls_extinction_coef       154(11)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.373
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5854
_refine_ls_R_factor_gt           0.0850
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.1500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2352
_reflns_number_gt                886
_reflns_number_total             5854
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            37-78sup1.cif
_cod_data_source_block           '_Complex-2-Cu-mhsa'
_cod_original_cell_volume        2249(5)
_cod_original_formula_sum        'C26 H20 Cu N2 O4 '
_cod_database_code               8000193