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#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/16/2001668.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001668
loop_
_publ_author_name
'Vrábel, V.'
'Kellö, E.'
_publ_section_title
;
 Structure of
 di(n-butyl)bis(morpholinocarbodithioato-κ²S,S')tin(IV)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              873
_journal_page_last               875
_journal_paper_doi               10.1107/S0108270192013040
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C18 H34 N2 O2 S4 Sn'
_chemical_formula_sum            'C18 H34 N2 O2 S4 Sn'
_chemical_formula_weight         557.41
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 93.00(9)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.152(14)
_cell_length_b                   7.146(5)
_cell_length_c                   21.00(3)
_cell_volume                     2570(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.32
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_density_meas      1.43(2)
_exptl_crystal_F_000             1144
_cod_data_source_file            du1017.cif
_cod_data_source_block           du1017_structure_1_of_1
_cod_original_cell_volume        2570(4)
_cod_database_code               2001668
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn .5000 .63620(10) .2500
S(1) .53810(10) .3711(2) .17840(10)
S(2) .56610(10) .7507(2) .12630(10)
O(1) .6573(3) .2572(7) -.0356(2)
N(1) .6095(4) .4342(7) .0746(2)
C(1) .5757(3) .5154(7) .1207(2)
C(2) .6268(6) .2270(12) .0716(3)
C(3) .6173(6) .1591(11) .0111(4)
C(4) .6410(6) .4397(14) -.0321(3)
C(5) .6500(6) .5403(13) .0248(3)
C(6) .6080(3) .7391(7) .2912(3)
C(7) .6114(3) .9489(8) .2915(3)
C(8) .6928(4) 1.0258(10) .3205(3)
C(9) .6990(4) 1.2258(12) .3267(5)
H(21) .6923 .2013 .0848
H(22) .5958 .1478 .1061
H(31) .6284 .0058 .0082
H(32) .5506 .1698 -.0017
H(41) .6665 .5153 -.0706
H(42) .5739 .4508 -.0428
H(51) .7173 .5458 .0376
H(52) .6332 .6882 .0223
H(61) .6167 .6878 .3400
H(62) .6562 .6871 .2633
H(71) .6011 1.0016 .2427
H(72) .5637 1.0022 .3202
H(81) .7037 .9663 .3691
H(82) .7398 .9750 .2912
H(91) .6543 1.2800 .3566
H(92) .7570 1.2685 .3456
H(93) .6897 1.2890 .2779
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
S(1) Sn S(2) 64.50(10)
Sn S(1) C(1) 95.0(2)
Sn S(2) C(1) 80.3(2)
C(3) O(1) C(4) 109.6(6)
C(2) N(1) C(5) 111.6(6)
C(1) N(1) C(5) 122.7(6)
C(1) N(1) C(2) 124.6(6)
S(2) C(1) N(1) 123.2(4)
S(1) C(1) N(1) 116.9(4)
S(1) C(1) S(2) 119.9(4)
N(1) C(2) C(3) 111.9(7)
O(1) C(3) C(2) 115.6(8)
O(1) C(4) C(5) 122.4(8)
N(1) C(5) C(4) 107.7(7)
Sn C(6) C(7) 112.3(4)
C(6) C(7) C(8) 112.3(5)
C(7) C(8) C(9) 115.9(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sn S(1) 2.525(2)
Sn S(2) 3.001(3)
Sn C(6) 2.134(5)
S(1) C(1) 1.740(5)
S(2) C(1) 1.694(5)
O(1) C(3) 1.412(10)
O(1) C(4) 1.337(11)
N(1) C(1) 1.292(7)
N(1) C(2) 1.512(10)
N(1) C(5) 1.492(10)
C(2) C(3) 1.362(11)
C(4) C(5) 1.396(10)
C(6) C(7) 1.500(8)
C(7) C(8) 1.592(9)
C(8) C(9) 1.438(11)
