#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/18/2001852.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_2001852
loop_
_publ_author_name
'Einstein, F. W. B.'
'Gay, I. D.'
'Jones, C. H. W.'
'Riesen, A.'
'Sharma, R. D.'
_publ_section_title
;
 Structure and solid-state tin-119 and tellurium-125 NMR spectra of
 2,2,4,4,6,6-hexakis(trimethylsilylmethyl)cyclotristannatellurane
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              470
_journal_page_last               472
_journal_paper_doi               10.1107/S0108270192008400
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H66 Si6 Sn3 Te3'
_chemical_formula_weight         1262.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.86(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.392(3)
_cell_length_b                   12.723(3)
_cell_length_c                   22.183(3)
_cell_volume                     4940.7(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    3.414
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_F_000             2399
_cod_data_source_file            cd1004.cif
_cod_data_source_block           cd1004_structure_1_of_1
_cod_original_cell_volume        4941
_cod_database_code               2001852
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Te(1) .10908(9) .3760(2) .04931(9) .0779
Te(2) .34212(9) .5220(2) .09009(9) .0717
Te(3) .30231(9) .2587(2) .21450(8) .0720
Sn(1) .20013(9) .54070(10) .10461(8) .0627
Sn(2) .40688(8) .39150(10) .19022(8) .0612
Sn(3) .21605(9) .22160(10) .09224(8) .0636
Si(11) .1191(5) .5640(7) .2242(4) .0864
Si(12) .1593(4) .7272(6) -.0186(4) .0801
Si(21) .5182(4) .4221(7) .3453(4) .0799
Si(22) .5548(4) .3520(7) .1240(4) .0859
Si(31) .1276(4) .0283(7) .1590(4) .0807
Si(32) .2480(4) .1979(7) -.0535(4) .0812
C(11) .2101(14) .563(2) .2018(12) .077(7)
C(12) .1458(14) .679(2) .0545(12) .084(8)
C(21) .4494(15) .484(2) .2755(12) .086(8)
C(22) .4917(14) .296(2) .1685(12) .080(18)
C(31) .1507(16) .078(2) .0897(13) .093(9)
C(32) .2901(14) .202(2) .0347(12) .078(8)
C(111) .0353(13) .618(3) .1640(12) .1224
C(112) .136(3) .642(4) .2965(18) .1717
C(113) .093(2) .4279(13) .2360(18) .1388
C(121) .0860(14) .8292(19) -.0471(13) .1090
C(122) .2549(10) .784(3) -.0026(17) .1298
C(123) .149(3) .6209(19) -.0763(13) .1356
C(211) .4963(16) .2841(12) .3574(14) .1023
C(212) .6143(10) .426(4) .3369(17) .1273
C(213) .5197(19) .499(2) .4156(10) .1104
C(221) .5067(18) .340(3) .0385(6) .1252
C(222) .5795(16) .4904(12) .1448(14) .1010
C(223) .6432(14) .274(3) .1454(18) .1414
C(311) .0981(15) .1341(18) .2029(14) .1054
C(312) .0477(14) -.064(2) .1288(17) .1176
C(313) .2093(13) -.039(4) .214(2) .1344
C(321) .1504(12) .145(4) -.0793(14) .1244
C(322) .250(3) .3307(17) -.0852(19) .1899
C(323) .3079(18) .113(3) -.0853(16) .1487
H(1) .2349 .6288 .2143 ?
H(2) .2414 .5080 .2249 ?
H(3) .1605 .7349 .0839 ?
H(4) .0925 .6665 .0449 ?
H(5) .4736 .5447 .2652 ?
H(6) .4066 .5055 .2880 ?
H(7) .5248 .2710 .2079 ?
H(8) .4656 .2378 .1444 ?
H(9) .1784 .0230 .0773 ?
H(10) .1032 .0877 .0577 ?
H(11) .3254 .2585 .0445 ?
H(12) .3166 .1374 .0472 ?
H(13) -.0070 .6143 .1795 ?
H(14) .0455 .6876 .1553 ?
H(15) .0259 .5759 .1268 ?
H(16) .0911 .6425 .3076 ?
H(17) .1498 .7105 .2875 ?
H(18) .1764 .6100 .3280 ?
H(19) .0473 .4294 .2472 ?
H(20) .1328 .3977 .2686 ?
H(21) .0853 .3910 .1976 ?
H(22) .0891 .8592 -.0856 ?
H(23) .0929 .8841 -.0162 ?
H(24) .0362 .8000 -.0544 ?
H(25) .2614 .8091 -.0409 ?
H(26) .2607 .8409 .0265 ?
H(27) .2923 .7319 .0153 ?
H(28) .1574 .6515 -.1120 ?
H(29) .1874 .5716 -.0571 ?
H(30) .1005 .5941 -.0841 ?
H(31) .5334 .2561 .3938 ?
H(32) .4471 .2789 .3633 ?
H(33) .4961 .2428 .3214 ?
H(34) .6493 .3938 .3731 ?
H(35) .6287 .4970 .3341 ?
H(36) .6144 .3889 .3000 ?
H(37) .5547 .4687 .4521 ?
H(38) .5348 .5695 .4108 ?
H(39) .4700 .4997 .4204 ?
H(40) .5376 .3691 .0147 ?
H(41) .4957 .2687 .0262 ?
H(42) .4590 .3785 .0265 ?
H(43) .6115 .5188 .1221 ?
H(44) .6061 .4982 .1895 ?
H(45) .5344 .5339 .1357 ?
H(46) .6771 .2999 .1240 ?
H(47) .6682 .2782 .1902 ?
H(48) .6321 .2019 .1344 ?
H(49) .0863 .1071 .2388 ?
H(50) .1380 .1856 .2172 ?
H(51) .0537 .1697 .1762 ?
H(52) .0316 -.0949 .1616 ?
H(53) .0617 -.1220 .1054 ?
H(54) .0040 -.0306 .0993 ?
H(55) .1956 -.0631 .2502 ?
H(56) .2510 .0093 .2289 ?
H(57) .2246 -.0966 .1944 ?
H(58) .1305 .1436 -.1242 ?
H(59) .1174 .1867 -.0630 ?
H(60) .1498 .0742 -.0638 ?
H(61) .2287 .3216 -.1293 ?
H(62) .3014 .3477 -.0737 ?
H(63) .2212 .3706 -.0674 ?
H(64) .2875 .1102 -.1300 ?
H(65) .3583 .1410 -.0739 ?
H(66) .3093 .0444 -.0682 ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Sn(3) Te(1) Sn(1) 96.69(7)
Sn(2) Te(2) Sn(1) 98.69(7)
Sn(3) Te(3) Sn(2) 98.08(7)
Te(2) Sn(1) Te(1) 110.92(8)
Te(3) Sn(2) Te(2) 112.11(7)
Te(3) Sn(3) Te(1) 111.04(8)
C(11) Sn(1) Te(1) 114.1(7)
C(11) Sn(1) Te(2) 110.0(7)
C(12) Sn(1) Te(1) 105.5(7)
C(12) Sn(1) Te(2) 108.6(7)
C(21) Sn(2) Te(2) 109.3(7)
C(21) Sn(2) Te(3) 104.6(7)
C(22) Sn(2) Te(2) 109.1(7)
C(22) Sn(2) Te(3) 107.3(7)
C(31) Sn(3) Te(1) 105.1(7)
C(31) Sn(3) Te(3) 108.5(7)
C(32) Sn(3) Te(1) 113.5(7)
C(32) Sn(3) Te(3) 109.2(7)
C(12) Sn(1) C(11) 107.3(10)
C(22) Sn(2) C(21) 114.4(9)
C(32) Sn(3) C(31) 109.3(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Te(1) Sn(1) 2.726(3)
Te(1) Sn(3) 2.735(3)
Te(2) Sn(1) 2.740(2)
Te(2) Sn(2) 2.734(2)
Te(3) Sn(2) 2.734(2)
Te(3) Sn(3) 2.731(2)
Sn(1) C(11) 2.13(2)
Sn(1) C(12) 2.15(3)
Sn(2) C(21) 2.16(3)
Sn(2) C(22) 2.15(3)
Sn(3) C(31) 2.18(3)
Sn(3) C(32) 2.15(2)
