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_8000192
_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         'C30 H32 Cu N2 O6 '
_chemical_formula_sum            'C30 H32 Cu N2 O6'
_chemical_formula_weight         580.14
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.93(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.50(4)
_cell_length_b                   11.36(2)
_cell_length_c                   18.43(4)
_cell_measurement_reflns_used    93
_cell_measurement_temperature    293
_cell_measurement_theta_max      29.1
_cell_measurement_theta_min      2.8
_cell_volume                     2888(11)
_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 7.31
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.931
_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  0.106
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21272
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         29.07
_exptl_absorpt_coefficient_mu    0.800
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1212.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.77
_refine_diff_density_min         -2.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    fixed
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5870
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.4000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1960
_reflns_number_gt                1510
_reflns_number_total             5870
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            37-78sup1.cif
_cod_data_source_block           complex-1-Cumhsa-EtOH
_cod_original_cell_volume        2889(12)
_cod_original_formula_sum        'C30 H32 Cu N2 O6 '
_cod_database_code               8000192