{<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(thiocyanato-κ<i>N</i>)zinc(II) perchlorate
Wang, Fu-Ming; Acta Crystallographica Section E 66 (2010) m778–m779; doi:10.1107/S1600536810021628

data_2226676
_publ_section_title
;
 {<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(thiocyanato-\k<i>N</i>)zinc(II)
 perchlorate
;
_journal_coeditor_code           SJ5017
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m778
_journal_page_last               m779
_journal_paper_doi               10.1107/S1600536810021628
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn (N C S) (C16 H18 N4)] Cl O4'
_chemical_formula_moiety         'C17 H18 N5 S Zn +, Cl O4 -'
_chemical_formula_sum            'C17 H18 Cl N5 O4 S Zn'
_chemical_formula_weight         489.24
_chemical_name_systematic
;
{<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-
\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(thiocyanato-
\k<i>N</i>)zinc(II) perchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.690(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.685(2)
_cell_length_b                   13.963(3)
_cell_length_c                   17.374(2)
_cell_measurement_reflns_used    2719
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.4
_cell_volume                     2076.9(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_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      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\w scan'
_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  0.0562
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16681
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.38
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.445
_exptl_absorpt_correction_T_max  0.6710
_exptl_absorpt_correction_T_min  0.6548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.661
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         4529
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1121
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max_lt       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^)+(0.0792P)^2^+0.7526P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1696
_reflns_number_gt                2534
_reflns_number_total             4529
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj5017.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2226676
_cod_database_fobs_code          2226676