Crystal structure of bis[<i>N</i>-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>]zinc dimethyl sulfoxide monosolvate
Cruz Santana, Genelane; de Gimenez, Iara; Näther, Christian; Jess, Inke; de Oliveira, Adriano Bof; Acta Crystallographica Section E 71 (2015) 440–442; doi:10.1107/S205698901500612X

data_2240540
_publ_section_title
;
 Crystal structure of
 bis[<i>N</i>-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-\k^2^<i>N</i>^2^,<i>S</i>]zinc
 dimethyl sulfoxide monosolvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              440
_journal_page_last               442
_journal_paper_doi               10.1107/S205698901500612X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Zn (C17 H16 N3 S)2] , C2 H6 O S'
_chemical_formula_moiety         'C34 H32 N6 S2 Zn, C2 H6 O S'
_chemical_formula_sum            'C36 H38 N6 O S3 Zn'
_chemical_formula_weight         732.27
_chemical_name_systematic
;Bis[<i>N</i>-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-\k^2^<i>N</i>^2^,<i>S</i>]zinc dimethyl
sulfoxide monosolvate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90.00
_cell_angle_beta                 94.223(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6320(4)
_cell_length_b                   17.2695(5)
_cell_length_c                   19.4067(7)
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.58
_cell_volume                     3553.6(2)
_computing_cell_refinement
;
<i>X-AREA</i> (Stoe & Cie, 2008)
;
_computing_data_collection
;
<i>X-AREA</i> (Stoe & Cie, 2008)
;
_computing_data_reduction
;
<i>X-RED32</i> (Stoe & Cie, 2008)
;
_computing_molecular_graphics
;
<i>DIAMOND</i> (Brandenburg, 2006)
;
_computing_publication_material
;
<i>publCIF</i> (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2013-2</i>(Sheldrick, 2015)
;
_computing_structure_solution
;
<i>SHELXS97</i> (Sheldrick, 2008)
;
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'STOE IPDS-1'
_diffrn_measurement_method       '\f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            45253
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.905
_exptl_absorpt_correction_T_max  0.9162
_exptl_absorpt_correction_T_min  0.7929
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(X-SHAPE and X-RED32; Stoe & Cie, 2008)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.802
_refine_diff_density_min         -0.682
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         6947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          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^)+(0.0382P)^2^+2.9458P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                6171
_reflns_number_total             6947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            im2462sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2240540
_cod_database_fobs_code          2240540
_shelx_hkl_checksum              20541
_shelx_res_checksum              58811