Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ<sup>2</sup><i>N</i><sup>2</sup>,<i>S</i>}nickel(II): crystal structure and Hirshfeld surface analysis.
Yusof, Enis Nadia Md; Ravoof, Thahira B. S. A.; Tahir, Mohamed I. M.; Jotani, Mukesh M.; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 397–402; doi:10.1107/S2056989017002419

data_2311357
_publ_section_title
;
 Bis{4-methylbenzyl
 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-\k<sup>2</sup><i>N</i><sup>2</sup>,<i>S</i>}nickel(II):
 crystal structure and Hirshfeld surface analysis.
;
_journal_coeditor_code           HB7658
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              397
_journal_page_last               402
_journal_paper_doi               10.1107/S2056989017002419
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Ni (C19 H21 N2 S2)2]'
_chemical_formula_moiety         'C38 H42 N4 Ni S4'
_chemical_formula_sum            'C38 H42 N4 Ni S4'
_chemical_formula_weight         741.70
_chemical_name_systematic
'Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-\k^2^<i>N</i>^2^,<i>S</i>}nickel(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   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 103.033(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.5799(7)
_cell_length_b                   7.3910(3)
_cell_length_c                   21.9848(16)
_cell_measurement_reflns_used    3077
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.7392
_cell_measurement_theta_min      2.3034
_cell_volume                     1833.1(2)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2011)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2011)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg,
2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1952
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_device_type  'Agilent Xcalibur Eos Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            8467
_diffrn_reflns_theta_full        25.241
_diffrn_reflns_theta_max         28.629
_diffrn_reflns_theta_min         2.308
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_description       prism
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.479
_refine_diff_density_min         -0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         4192
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0349
_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^)+(0.0367P)^2^+0.7493P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0847
_reflns_number_gt                3393
_reflns_number_total             4192
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7658sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311357
_shelx_estimated_absorpt_t_min   0.798
_shelx_estimated_absorpt_t_max   0.925
_shelx_hkl_checksum              73557
_shelx_res_checksum              51373