Bis[2-(phenethyliminomethyl)phenolato-κ^2^N,O]copper(II)
Akitsu, Takashiro; Einaga, Yasuaki; Acta Crystallographica, Section E: Structure Reports Online 60 (2004) m1555–m1557; doi:10.1107/S1600536804023736

data_1101088
_publ_section_title
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Bis[2-(phenethyliminomethyl)phenolato-\k^2^N,O]copper(II)
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_journal_coden_ASTM              ACSEBH
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section E: Structure Reports Online
;
_journal_page_first              m1555
_journal_page_last               m1557
_journal_paper_doi               10.1107/S1600536804023736
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu (C15 H14 N O)2]'
_chemical_formula_moiety         'C30 H28 Cu N2 O2'
_chemical_formula_sum            'C30 H28 Cu N2 O2'
_chemical_formula_weight         512.09
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.81(3)
_cell_angle_beta                 91.89(3)
_cell_angle_gamma                75.43(3)
_cell_formula_units_Z            2
_cell_length_a                   11.943(4)
_cell_length_b                   11.944(5)
_cell_length_c                   9.102(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      11.0
_cell_volume                     1255.9(8)
_computing_cell_refinement       'WinAFC Diffractometer Control Software'
_computing_data_collection
'WinAFC Diffractometer Control Software (Rigaku, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2001)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6444
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.88
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.899
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             534.0
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4237
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0553P)^2^+0.2726P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                4237
_reflns_number_total             5773
_reflns_threshold_expression     I>2\s(I)
_cod_duplicate_entry             2204424
_cod_data_source_file            ac6123.cif
_cod_depositor_comments
;
 Marked entry as a duplicate of entry 2204424.

 Antanas Vaitkus,
 2019-09-17
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_cod_database_code               1101088