Bis(<i>N</i>-octylsalicylideniminato-<i>N</i>,<i>O</i>)copper(II)
Zhang, Lei Z.; Bu, Ping-Yu; Wang, Li-Juan; Cheng, Peng; Acta Crystallographica Section C 57 (2001) 1166–1167; doi:10.1107/S0108270101013154

data_2012282
_publ_section_title
;
 Bis(<i>N</i>-octylsalicylideniminato-<i>N</i>,<i>O</i>)copper(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1166
_journal_page_last               1167
_journal_paper_doi               10.1107/S0108270101013154
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cu (C15 H22 N O)2]'
_chemical_formula_moiety         'C30 H44 Cu N2 O2'
_chemical_formula_sum            'C30 H44 Cu N2 O2'
_chemical_formula_weight         528.21
_chemical_melting_point          337
_chemical_name_systematic
;
Bis(N-octylsalicylideneaminato-N,O)copper(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.507(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.571(4)
_cell_length_b                   9.742(3)
_cell_length_c                   9.500(3)
_cell_measurement_reflns_used    37
_cell_measurement_temperature    298(2)
_cell_volume                     1502.8(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SHELXTL (Bruker, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector Query'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .056
_diffrn_reflns_av_sigmaI/netI    .073
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            6066
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    .753
_exptl_absorpt_correction_T_max  .896
_exptl_absorpt_correction_T_min  .864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             566
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_refine_diff_density_max         .27
_refine_diff_density_min         -.23
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         2656
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          .108
_refine_ls_R_factor_gt           .048
_refine_ls_shift/su_max          .017
_refine_ls_shift/su_mean         .007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[[\s^2^(Fo^2^)+(0.05P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .126
_reflns_number_gt                1414
_reflns_number_total             2656
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ta1334.cif
_cod_data_source_block           I
_cod_original_cell_volume        1502.9(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2012282
_cod_database_fobs_code          2012282