Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-<i>N</i>-ethyl-carbamimido-thio-ato-κ<sup>2</sup><i>N</i>',<i>S</i>)zinc(II): crystal structure and Hirshfeld surface analysis.
Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1001–1008; doi:10.1107/S2056989017008064

data_2311387
_publ_section_title
;
 Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-<i>N</i>-ethyl-carbamimido-thio-ato-\k<sup>2</sup><i>N</i>',<i>S</i>)zinc(II):
 crystal structure and Hirshfeld surface analysis.
;
_journal_coeditor_code           HB7684
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1001
_journal_page_last               1008
_journal_paper_doi               10.1107/S2056989017008064
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Zn (C36 H36 N6 S2)]'
_chemical_formula_moiety         'C36 H36 N6 S2 Zn'
_chemical_formula_sum            'C36 H36 N6 S2 Zn'
_chemical_formula_weight         682.20
_chemical_name_systematic
Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-diphenylprop-2-en-1-ylidene]amino}-<i>N</i>-ethylcarbamimidothioato-\k^2^<i>N</i>',<i>S</i>)zinc(II)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 91.069(2)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   38.3604(9)
_cell_length_b                   13.6382(3)
_cell_length_c                   26.3548(6)
_cell_measurement_reflns_used    15819
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5119
_cell_measurement_theta_min      3.0861
_cell_volume                     13785.6(5)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2012)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012), <i>QMol</i> (Gans & Shalloway,
2001) and
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with Atlas detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            37452
_diffrn_reflns_theta_full        27.499
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         3.092
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.830
_exptl_absorpt_correction_T_min  0.782
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_description       cube
_exptl_crystal_F_000             5696
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.237
_refine_diff_density_min         -0.480
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     827
_refine_ls_number_reflns         15816
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0268P)^2^+19.4617P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0838
_reflns_number_gt                12855
_reflns_number_total             15816
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7684sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311387
_shelx_estimated_absorpt_t_min   0.781
_shelx_estimated_absorpt_t_max   0.781
_shelx_hkl_checksum              29883
_shelx_res_checksum              37981