Bis{1-[(<i>E</i>)-(2-chlorophenyl)diazenyl]naphthalen-2-olato}copper(II)
Benaouida, Mohamed Amine; Benosmane, Ali; Bouguerria, Hassiba; Bouaoud, Salah Eddine; Merazig, Hocine; Acta Crystallographica Section E 69 (2013) m405–; doi:10.1107/S1600536813016681

data_2238266
_publ_section_title
;
 Bis{1-[(<i>E</i>)-(2-chlorophenyl)diazenyl]naphthalen-2-olato}copper(II)
;
_journal_coeditor_code           SU2613
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m405
_journal_paper_doi               10.1107/S1600536813016681
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu (C16 H10 Cl N2 O)2]'
_chemical_formula_moiety         'C32 H20 Cl2 Cu N4 O2'
_chemical_formula_structural     'C32 H20 Cl2 Cu N4 O2'
_chemical_formula_sum            'C32 H20 Cl2 Cu N4 O2'
_chemical_formula_weight         626.99
_chemical_name_systematic
;
Bis{1-[(<i>E</i>)-(2-chlorophenyl)diazenyl]naphthalen-2-olato}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
_cell_angle_alpha                90
_cell_angle_beta                 111.941(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.2218(4)
_cell_length_b                   7.8348(3)
_cell_length_c                   17.5678(6)
_cell_measurement_temperature    273
_cell_volume                     1305.03(9)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7327
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    1.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             638
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.275
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0336
_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^)+(0.0406P)^2^+0.9147P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0822
_reflns_number_gt                1979
_reflns_number_total             2299
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2613.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238266
_cod_database_fobs_code          2238266