Crystallography Open Database

Information card for entry 4302570

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Structure parameters

Formula	C136 H170 O27 Si6 Te6
Calculated formula	C136 H170 O27 Si6 Te6
SMILES	c1(ccc(cc1)OC)[Te]1(c2ccc(cc2)OC)O[Si]2(O[Te](O[Si]3(O[Te](O[Si](O1)(O[Si]1(O[Te](O[Si](O[Te](O[Si](O3)(O[Te](c3ccc(cc3)OC)(c3ccc(cc3)OC)O1)C(C)(C)C)(c1ccc(cc1)OC)c1ccc(cc1)OC)(O2)C(C)(C)C)(c1ccc(cc1)OC)c1ccc(cc1)OC)C(C)(C)C)C(C)(C)C)(c1ccc(cc1)OC)c1ccc(cc1)OC)C(C)(C)C)(c1ccc(cc1)OC)c1ccc(cc1)OC)C(C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
Title of publication	Tellurasiloxane Cages Containing Te6Si4O12 and Te6Si6O15 Frameworks
Authors of publication	Vadapalli Chandrasekhar; Ramalingam Thirumoorthi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6236 - 6241
a	26.871 ± 0.002 Å
b	18.933 ± 0.002 Å
c	28.711 ± 0.003 Å
α	90°
β	107.086 ± 0.002°
γ	90°
Cell volume	13962 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4302570.cif
179063	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/25.	4302570.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302570.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302570.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302570.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302570.cif