Bis[<i>N</i>-ethyl-<i>N</i>'-(pyridin-2-ylmethylene)ethane-1,2-diamine]nickel(II) bis(perchlorate)
Zhe Hong; Acta Crystallographica Section E 63 (2007) m2026–m2026; doi:10.1107/S160053680703108X

data_2214369
_publ_section_title
;Bis[<i>N</i>-ethyl-<i>N</i>'-(pyridin-2-ylmethylene)ethane-1,2-diamine]nickel(II)
 bis(perchlorate)
;
_journal_coeditor_code           OM2138
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2026
_journal_page_last               m2026
_journal_paper_doi               10.1107/S160053680703108X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni (C10 H15 N3)2] (Cl O4)2'
_chemical_formula_moiety         'C20 H30 N6 Ni, 2(Cl O4)'
_chemical_formula_sum            'C20 H30 Cl2 N6 Ni O8'
_chemical_formula_weight         612.11
_chemical_name_systematic
;
Bis[N-ethyl-N'-(pyridin-2-ylmethylene)ethane-1,2-diamine]nickel(II)
bis(perchlorate)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.5310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   21.1172(18)
_cell_length_b                   16.8787(14)
_cell_length_c                   12.0819(10)
_cell_measurement_reflns_used    5221
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.9
_cell_measurement_theta_min      2.3
_cell_volume                     4149.1(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       \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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            23631
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.41
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.948
_exptl_absorpt_correction_T_max  0.7514
_exptl_absorpt_correction_T_min  0.7206
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1908
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.861
_refine_diff_density_min         -0.468
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         9187
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0586
_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^)+(0.1156P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1609
_refine_ls_wR_factor_ref         0.1894
_reflns_number_gt                5711
_reflns_number_total             9187
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2138.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2214369
_cod_database_fobs_code          2214369