Acetato(<i>N</i>-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylidene]-2-{2-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl}aniline)nickel(II) perchlorate
Sarkar, Shuranjan; Lee, Hajin; Lee, Hong-In; Acta Crystallographica Section E 66 (2010) m1184–; doi:10.1107/S1600536810034446

data_2227915
_publ_section_title
;
 Acetato(<i>N</i>-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylidene]-2-{2-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl}aniline)nickel(II)
 perchlorate
;
_journal_coeditor_code           PV2321
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1184
_journal_paper_doi               10.1107/S1600536810034446
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ni (C2 H3 O2) (C28 H26 N4)] Cl O4'
_chemical_formula_moiety         'C30 H29 N4 Ni O2 +, Cl O4 -'
_chemical_formula_sum            'C30 H29 Cl N4 Ni O6'
_chemical_formula_weight         635.73
_chemical_name_systematic
;
Acetato(<i>N</i>-[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylidene]-2-{2-
[(<i>E</i>)-1-(6-methyl-2-pyridyl)methylideneamino]phenethyl}aniline)nickel(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           SHELXTL
_cell_angle_alpha                79.392(2)
_cell_angle_beta                 78.102(2)
_cell_angle_gamma                81.327(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5759(8)
_cell_length_b                   11.4975(10)
_cell_length_c                   14.8322(13)
_cell_measurement_reflns_used    2599
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.99
_cell_measurement_theta_min      2.44
_cell_volume                     1396.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\f & \w scans'
_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  0.0487
_diffrn_reflns_av_sigmaI/netI    0.1631
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10545
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        <2.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.843
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.041
_refine_diff_density_min         -1.836
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     382
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1500
_refine_ls_R_factor_gt           0.0682
_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^)+2.2621P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.1487
_reflns_number_gt                3311
_reflns_number_total             6856
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2321.cif
_cod_data_source_block           I
_cod_database_code               2227915
_cod_database_fobs_code          2227915