Bis{1-[(<i>o</i>-tolyl)iminomethyl]-2-naphtholato}copper(II)
Zhu, Peihua; Yu, Jiemei; Wang, Hongyan; Zhang, Chunlai; Wei, Qin; Acta Crystallographica Section E 66 (2010) m1182–; doi:10.1107/S160053681003374X

data_2228188
_publ_section_title
;
 Bis{1-[(<i>o</i>-tolyl)iminomethyl]-2-naphtholato}copper(II)
;
_journal_coeditor_code           ZS2057
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1182
_journal_paper_doi               10.1107/S160053681003374X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C18 H14 N O)2]'
_chemical_formula_moiety         'C36 H28 Cu N2 O2'
_chemical_formula_sum            'C36 H28 Cu N2 O2'
_chemical_formula_weight         584.14
_chemical_name_systematic
;
Bis{1-[(<i>o</i>-tolyl)iminomethyl]-2-naphtholato}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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.775(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.39342(16)
_cell_length_b                   22.0666(5)
_cell_length_c                   8.74653(19)
_cell_measurement_reflns_used    3786
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8613
_cell_measurement_theta_min      2.9131
_cell_volume                     1419.73(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7361
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.805
_exptl_absorpt_correction_T_max  0.8956
_exptl_absorpt_correction_T_min  0.8621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             606
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.565
_refine_diff_density_min         -1.036
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0568
_refine_ls_R_factor_gt           0.0374
_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^)+(0.0550P)^2^+] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.0984
_reflns_number_gt                2058
_reflns_number_total             2882
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2057.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2228188
_cod_database_fobs_code          2228188