Di-<i>n</i>-butylbis(<i>N</i>-cyclohexyl-<i>N</i>-ethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')tin(IV)
Awang, Normah; Baba, Ibrahim; Yamin, Bohari M.; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m938–; doi:10.1107/S1600536810027303

data_2227151
_publ_section_title
;
 Di-<i>n</i>-butylbis(<i>N</i>-cyclohexyl-<i>N</i>-ethyldithiocarbamato-\k^2^<i>S</i>,<i>S</i>')tin(IV)
;
_journal_coeditor_code           ZS2050
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m938
_journal_paper_doi               10.1107/S1600536810027303
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C4 H9)2 (C9 H16 N S2)2]'
_chemical_formula_moiety         'C26 H50 N2 S4 Sn'
_chemical_formula_sum            'C26 H50 N2 S4 Sn'
_chemical_formula_weight         637.67
_chemical_name_systematic
;
Di-<i>n</i>-butylbis(<i>N</i>-cyclohexyl-<i>N</i>-ethyldithiocarbamato-
\k^2^<i>S</i>,<i>S</i>')tin(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.1030(10)
_cell_angle_beta                 108.1250(10)
_cell_angle_gamma                90.6550(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2809(4)
_cell_length_b                   12.5462(4)
_cell_length_c                   13.3823(5)
_cell_measurement_reflns_used    7406
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.6
_cell_measurement_theta_min      2.6
_cell_volume                     1591.50(10)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20772
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.65
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.082
_exptl_absorpt_correction_T_max  0.7737
_exptl_absorpt_correction_T_min  0.7033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.648
_refine_diff_density_min         -0.445
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         7294
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0681P)^2^+0.9862P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1180
_refine_ls_wR_factor_ref         0.1248
_reflns_number_gt                6264
_reflns_number_total             7294
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2050.cif
_cod_data_source_block           I
_cod_database_code               2227151
_cod_database_fobs_code          2227151