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_2311562
_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 (C4 H9)2 (C7 H14 N O2 S2)2]'
_chemical_formula_moiety         'C22 H46 N2 O4 S4 Sn'
_chemical_formula_sum            'C22 H46 N2 O4 S4 Sn'
_chemical_formula_weight         649.54
_chemical_name_systematic
Bis[<i>N</i>,<i>N</i>-bis(2-methoxyethyl)dithiocarbamato-\k^2^<i>S</i>,<i>S</i>']di-<i>n</i>-butyltin(IV)
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 97.282(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.8819(17)
_cell_length_b                   7.1272(4)
_cell_length_c                   16.4146(11)
_cell_measurement_reflns_used    5103
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.2170
_cell_measurement_theta_min      3.9130
_cell_volume                     3003.5(3)
_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) 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      173(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.914
_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  0.0539
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18349
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.631
_diffrn_reflns_theta_min         3.258
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.24667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis Pro; Agilent, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_description       prism
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.178
_refine_diff_density_min         -0.881
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         4631
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0581P)^2^+4.9909P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1282
_reflns_number_gt                3678
_reflns_number_total             4631
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7731sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311562
_shelx_estimated_absorpt_t_min   0.723
_shelx_estimated_absorpt_t_max   0.944
_shelx_hkl_checksum              97632
_shelx_res_checksum              12412