Crystal structures and Hirshfeld surface analyses of bis-[<i>N</i>,<i>N</i>-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']di-<i>n</i>-butyl-tin(IV) and [<i>N</i>-(2-meth-oxy-eth-yl)-<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']tri-phenyl-tin(IV).
Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.; Acta crystallographica. Section E, Crystallographic communications 74 (2018) 302–308; doi:10.1107/S2056989018001901

data_2311563
_publ_section_title
;
 Crystal structures and Hirshfeld surface analyses of
 bis-[<i>N</i>,<i>N</i>-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-\k<sup>2</sup><i>S</i>,<i>S</i>']di-<i>n</i>-butyl-tin(IV)
 and
 [<i>N</i>-(2-meth-oxy-eth-yl)-<i>N</i>-methyl-dithio-carbamato-\k<sup>2</sup><i>S</i>,<i>S</i>']tri-phenyl-tin(IV).
;
_journal_coeditor_code           HB7731
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              302
_journal_page_last               308
_journal_paper_doi               10.1107/S2056989018001901
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Sn (C6 H5)3 (C5 H10 N O S2)]'
_chemical_formula_moiety         'C23 H25 N O S2 Sn'
_chemical_formula_sum            'C23 H25 N O S2 Sn'
_chemical_formula_weight         514.25
_chemical_name_systematic
'[<i>N</i>-(2-Methoxyethyl)-<i>N</i>-methyldithiocarbamato-\k^2^<i>S</i>,<i>S</i>']triphenyltin(IV)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                91.976(3)
_cell_angle_beta                 90.655(3)
_cell_angle_gamma                107.875(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6258(3)
_cell_length_b                   10.2178(3)
_cell_length_c                   14.8621(6)
_cell_measurement_reflns_used    8110
_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      31.4380
_cell_measurement_theta_min      4.1190
_cell_volume                     1101.19(7)
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      148(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.882
_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  0.0459
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11916
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.663
_diffrn_reflns_theta_min         3.519
_exptl_absorpt_coefficient_mu    1.363
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47913
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis Pro; Agilent, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_description       slab
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_refine_diff_density_max         2.211
_refine_diff_density_min         -1.817
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         6547
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0397
_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^)+(0.0671P)^2^+0.2783P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1108
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                6089
_reflns_number_total             6547
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7731sup1.cif
_cod_data_source_block           II
_cod_database_code               2311563
_shelx_estimated_absorpt_t_min   0.549
_shelx_estimated_absorpt_t_max   0.685
_shelx_hkl_checksum              72739
_shelx_res_checksum              17185