Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II) and bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)
Akitsu, Takashiro; Einaga, Yasuaki; Acta Crystallographica Section C 60 (2004) m640–m642; doi:10.1107/S0108270104026575

data_2014568
_publ_section_title
;Bis[(<i>R</i>)-3,5-dichloro-<i>N</i>-(1-phenylethyl)salicylideneaminato-\k^2^<i>N</i>,<i>O</i>]copper(II)
 and
 bis[(<i>R</i>)-3-ethoxy-<i>N</i>-(1-phenylethyl)salicylideneaminato-\k^2^<i>N</i>,<i>O</i>]copper(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m640
_journal_page_last               m642
_journal_paper_doi               10.1107/S0108270104026575
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu (C17 H18 N1 O2)2]'
_chemical_formula_moiety         'C34 H36 Cu N2 O4'
_chemical_formula_sum            'C34 H36 Cu N2 O4'
_chemical_formula_weight         600.20
_chemical_name_systematic
;
bis[(R)-3-ethoxy-N-(1-phenylethyl)salicylideneaminato-\k^2^N,O)]copper(II)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.67(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.227(4)
_cell_length_b                   42.380(10)
_cell_length_c                   8.035(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      10.5
_cell_volume                     3053.0(19)
_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           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.161
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       55
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7924
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.82
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  0.860
_exptl_absorpt_correction_T_min  0.762
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1260.0
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.77
_refine_ls_abs_structure_details 'Flack (1983), ? Friedel pairs'
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     644
_refine_ls_number_reflns         3976
_refine_ls_R_factor_gt           0.0661
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1162P)^2^+4.3366P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2420
_reflns_number_gt                3976
_reflns_number_total             7100
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq1180.cif
_cod_data_source_block           II
_cod_original_sg_symbol_Hall     'P 2yb '
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2014568