(2-{[2-(2-Aminoethylamino)ethylimino]methyl}phenolato-κ^4^<i>O</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) perchlorate
Dieng, Moussa; Barry, Aliou Hamady; Gaye, Mohamed; Sall, Abdou Salam; Pérez-Lourido, Paulo; Valencia-Matarranz, Laura; Acta Crystallographica Section E 67 (2011) m830–m831; doi:10.1107/S1600536811020095

data_2230565
_publ_section_title
;
 (2-{[2-(2-Aminoethylamino)ethylimino]methyl}phenolato-\k^4^<i>O</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II)
 perchlorate
;
_journal_coeditor_code           AA2008
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m830
_journal_page_last               m831
_journal_paper_doi               10.1107/S1600536811020095
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C11 H16 N3 O)] Cl O4'
_chemical_formula_moiety         'C11 H16 Cu1 N3 O1 +, Cl O4 -'
_chemical_formula_sum            'C11 H16 Cl Cu N3 O5'
_chemical_formula_weight         369.26
_chemical_name_systematic
;
(2-{[2-(2-Aminoethylamino)ethylimino]methyl}phenolato-
\k^4^<i>O</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')copper(II) perchlorate
;
_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           SHELXL-97
_cell_angle_alpha                108.240(4)
_cell_angle_beta                 105.568(4)
_cell_angle_gamma                108.154(4)
_cell_formula_units_Z            4
_cell_length_a                   10.371(3)
_cell_length_b                   12.615(3)
_cell_length_c                   13.390(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      11
_cell_volume                     1445.2(6)
_computing_cell_refinement       '<i>CAD-4 EXPRESS</i> (Enraf--Nonius, 1994)'
_computing_data_collection       '<i>CAD-4 EXPRESS</i> (Enraf--Nonius, 1994)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \p
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9604
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 167
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.720
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             756
_exptl_crystal_size_max          .14
_exptl_crystal_size_mid          .12
_exptl_crystal_size_min          .10
_refine_diff_density_max         0.525
_refine_diff_density_min         -0.523
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         4979
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0373
_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^)+(0.0736P)^2^+1.8036P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1310
_reflns_number_gt                4043
_reflns_number_total             4979
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            aa2008.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C11 H16 Cl1 Cu1 N3 O5'
_cod_database_code               2230565
_cod_database_fobs_code          2230565