[(<i>Z</i>)-1-({3-[(3-Aminopropyl)(2-nitrobenzyl)amino]propyl}iminomethyl)naphthalen-2-olato]copper(II) perchlorate
Azadbakht, Reza; Amiri Rudbari, Hadi; Menati, Saeid; Bruno, Giuseppe; Acta Crystallographica Section E 67 (2011) m1748–; doi:10.1107/S1600536811045752

data_2232920
_publ_section_title
;
 [(<i>Z</i>)-1-({3-[(3-Aminopropyl)(2-nitrobenzyl)amino]propyl}iminomethyl)naphthalen-2-olato]copper(II)
 perchlorate
;
_journal_coeditor_code           RK2297
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1748
_journal_paper_doi               10.1107/S1600536811045752
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C24 H27 N4 O3)] Cl O4'
_chemical_formula_moiety         'C24 H27 Cu N4 O3 +, Cl O4 -'
_chemical_formula_sum            'C24 H27 Cl Cu N4 O7'
_chemical_formula_weight         582.50
_chemical_name_systematic
;
[(<i>Z</i>)-1-({3-[(3-Aminopropyl)(2-
nitrobenzyl)amino]propyl}iminomethyl)naphthalen-2-olato]copper(II)
perchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.072(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1062(4)
_cell_length_b                   19.2907(8)
_cell_length_c                   16.0959(7)
_cell_measurement_reflns_used    9603
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.24
_cell_measurement_theta_min      2.59
_cell_volume                     2461.32(19)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2007)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2007)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2007)'
_computing_molecular_graphics    '<i>XPW</i> (Siemens, 1996)'
_computing_publication_material  '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0173
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            101979
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    1.049
_exptl_absorpt_correction_T_max  0.7470
_exptl_absorpt_correction_T_min  0.7059
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2007)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.49
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.591
_refine_diff_density_min         -0.523
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         5377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_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^+1.1383P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                4605
_reflns_number_total             5377
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2297.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2232920
_cod_database_fobs_code          2232920