Crystallography Open Database

Information card for entry 4073121

Preview

Coordinates	4073121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H96 O12 Si3 Te3
Calculated formula	C66 H96 O12 Si3 Te3
SMILES	[Te]1(O[Si](C(C)(C)C)(O[Te](O[Si](O[Te](O[Si](C(C)(C)C)(O1)C(C)(C)C)(c1ccc(OC)cc1)c1ccc(OC)cc1)(C(C)(C)C)C(C)(C)C)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(C)(C)C)(c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	Reactivity of (p-MeOC6H4)2TeO towardt-Bu2Si(OH)2. Synthesis of a 12-Membered Tellurasiloxane Ring,cyclo-[(p-MeOC6H4)2TeOSit-Bu2O]3
Authors of publication	Beckmann, Jens; Bolsinger, Jens
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3601
a	14.079 ± 0.003 Å
b	22.641 ± 0.005 Å
c	22.189 ± 0.005 Å
α	90°
β	93.219 ± 0.005°
γ	90°
Cell volume	7062 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
178620 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/31.	4073121.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073121.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073121.cif
46173	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073121 via cif-deposit CGI script.	4073121.cif