[(1<i>S</i>,2<i>S</i>)-2-(1-{[2-(2-Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']copper(II)
Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah; Acta Crystallographica Section E 66 (2010) m813–; doi:10.1107/S1600536810022889

data_2226634
_publ_section_title
;
 [(1<i>S</i>,2<i>S</i>)-2-(1-{[2-(2-Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato-\k^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']copper(II)
;
_journal_coeditor_code           PV2290
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m813
_journal_paper_doi               10.1107/S1600536810022889
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C21 H22 N2 O2)]'
_chemical_formula_moiety         'C21 H22 Cu N2 O2'
_chemical_formula_sum            'C21 H22 Cu N2 O2'
_chemical_formula_weight         397.95
_chemical_name_systematic
;
[(1<i>S</i>,2<i>S</i>)-2-(1-{[2-(2-
Oxidobenzylideneamino)cyclohexyl]imino}ethyl)phenolato-
\k^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.649(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6699(3)
_cell_length_b                   7.7324(2)
_cell_length_c                   12.1847(4)
_cell_measurement_reflns_used    1422
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.47
_cell_measurement_theta_min      3.19
_cell_volume                     846.80(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  '<i>publCIF</i> (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9232
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.308
_exptl_absorpt_correction_T_max  0.9618
_exptl_absorpt_correction_T_min  0.7799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             414
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.368
_refine_ls_abs_structure_details 'Flack (1983), 2036 Friedel pairs'
_refine_ls_abs_structure_Flack   0.050(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4573
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0281P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.0909
_reflns_number_gt                3542
_reflns_number_total             4573
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2290.cif
_cod_data_source_block           I
_cod_original_cell_volume        846.80(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2226634
_cod_database_fobs_code          2226634