Bis{<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanimidamidato}copper(II)
Djebli, Yacine; Mosbah, Salima; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Acta Crystallographica Section E 66 (2010) m410–; doi:10.1107/S1600536810009050

data_2225644
_publ_section_title
;
 Bis{<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanimidamidato}copper(II)
;
_journal_coeditor_code           PK2228
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m410
_journal_paper_doi               10.1107/S1600536810009050
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C11 H11 N4 O2)2]'
_chemical_formula_moiety         'C22 H22 Cu N8 O4'
_chemical_formula_sum            'C22 H22 Cu N8 O4'
_chemical_formula_weight         526.02
_chemical_name_systematic
;
Bis{<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-
yl]ethanimidamidato}copper(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                111.501(5)
_cell_angle_beta                 99.274(6)
_cell_angle_gamma                91.564(5)
_cell_formula_units_Z            1
_cell_length_a                   4.9020(6)
_cell_length_b                   11.2083(14)
_cell_length_c                   11.5739(14)
_cell_measurement_reflns_used    2925
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      3.22
_cell_volume                     581.33(13)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SAINT (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf-Nonius FR590'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6654
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.22
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             271
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     166
_refine_ls_number_reflns         2633
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.042
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0355P)^2^+0.2373P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0849
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                2417
_reflns_number_total             2633
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pk2228.cif
_cod_data_source_block           I
_cod_original_cell_volume        581.33(12)
_cod_database_code               2225644
_cod_database_fobs_code          2225644