[<i>N</i>-(2-Aminoethyl)-<i>N</i>-(2-{(<i>E</i>)-[9-(diethoxymethyl)-1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II) bis(perchlorate)
Keypour, Hassan; Goudarziafshar, Hamid; Brisdon, Alan K.; Pritchard, Robin G.; Acta Crystallographica Section E 63 (2007) m2158–m2159; doi:10.1107/S1600536807032953

data_2214546
_publ_section_title
;[<i>N</i>-(2-Aminoethyl)-<i>N</i>-(2-{(<i>E</i>)-[9-(diethoxymethyl)-1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II)
 bis(perchlorate)
;
_journal_coeditor_code           BT2424
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2158
_journal_page_last               m2159
_journal_paper_doi               10.1107/S1600536807032953
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C24 H34 N6 O2)] (Cl O4)2'
_chemical_formula_moiety         'C24 H34 Cu N6 O2 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C24 H34 Cl2 Cu N6 O10'
_chemical_formula_weight         701.01
_chemical_name_systematic
;
[<it>N</it>-(2-Aminoethyl)-<it>N</it>-(2-{(<it>E</it>)-[9-(diethoxymethyl)-\
1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II)
bis(perchlorate)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.1439(3)
_cell_length_b                   16.6060(3)
_cell_length_c                   25.8952(6)
_cell_measurement_reflns_used    11162
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      0.998
_cell_volume                     6082.1(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19358
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.957
_exptl_absorpt_correction_T_max  0.8698
_exptl_absorpt_correction_T_min  0.7959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Blessing (1995)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2904
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.252
_refine_diff_density_min         -0.409
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         5524
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1381
_refine_ls_R_factor_gt           0.0742
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1530P)^2^+0.4527P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1988
_refine_ls_wR_factor_ref         0.2555
_reflns_number_gt                2925
_reflns_number_total             5524
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2424.cif
_cod_data_source_block           I
_cod_database_code               2214546
_cod_database_fobs_code          2214546