Bis[<i>N</i>-2-hy-droxy-ethyl,<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-κ<i>N</i><sup>1</sup>)zinc(II): crystal structure and Hirshfeld surface analysis.
Broker, Grant A.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1458–1464; doi:10.1107/S2056989017012725

data_2311418
_publ_section_title
;
 Bis[<i>N</i>-2-hy-droxy-ethyl,<i>N</i>-methyl-dithio-carbamato-\k<sup>2</sup><i>S</i>,<i>S</i>)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-\k<i>N</i><sup>1</sup>)zinc(II):
 crystal structure and Hirshfeld surface analysis.
;
_journal_coeditor_code           HB7702
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1458
_journal_page_last               1464
_journal_paper_doi               10.1107/S2056989017012725
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Zn (C4 H8 N O S2)2 C12 H10 N4)]'
_chemical_formula_moiety         'C20 H26 N6 O2 S4 Zn'
_chemical_formula_sum            'C20 H26 N6 O2 S4 Zn'
_chemical_formula_weight         576.08
_chemical_name_systematic
;
Bis[<i>N</i>-2-hydroxyethyl,<i>N</i>-methyldithiocarbamato-\k^2^<i>S</i>,\
<i>S</i>)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-\
\k<i>N</i>^1^)zinc(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 95.515(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.499(4)
_cell_length_b                   8.5710(19)
_cell_length_c                   25.945(7)
_cell_measurement_reflns_used    1535
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      30.3
_cell_measurement_theta_min      3.1
_cell_volume                     2545.2(13)
_computing_cell_refinement
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_data_collection
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_data_reduction
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and  DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC12K/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25373
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.261
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.323
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.575
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.716
_refine_diff_density_min         -0.443
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4485
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0663P)^2^+3.1980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1287
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                4180
_reflns_number_total             4485
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7702sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2545.3(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311418
_shelx_estimated_absorpt_t_min   0.620
_shelx_estimated_absorpt_t_max   0.826
_shelx_hkl_checksum              32860
_shelx_res_checksum              77891