Crystallography Open Database

Information card for entry 7000185

Preview

Coordinates	7000185.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,3-Di(tert-butyl)-1,1,3,3-tetrahydroxydisiloxane
Chemical name	1,3-Di(tert-butyl)-1,1,3,3-tetrahydroxydisiloxane
Formula	C8 H22 O5 Si2
Calculated formula	C8 H22 O5 Si2
Title of publication	Formation and hydrogen bonding of a novel POSS-trisilanol
Authors of publication	Spirk, Stefan; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	163 - 167
a	6.222 ± 0.002 Å
b	9.674 ± 0.003 Å
c	11.948 ± 0.003 Å
α	89.11 ± 0.03°
β	79.67 ± 0.03°
γ	81.7 ± 0.03°
Cell volume	700.1 ± 0.4 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1649
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179679 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/01.	7000185.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000185.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000185.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000185.cif