Crystallography Open Database

Information card for entry 4302123

Preview

Structure parameters

Common name	silanol - strained siloxane
Formula	C12 H22 O2 Si3
Calculated formula	C12 H22 O2 Si3
Title of publication	How to Make the Ionic Si-O Bond More Covalent and the Si-O-Si Linkage a Better Acceptor for Hydrogen Bonding
Authors of publication	Simon Grabowsky; Maxie F. Hesse; Carsten Paulmann; Peter Luger; Jens Beckmann
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	4384 - 4393
a	8.922 ± 0.002 Å
b	16.7 ± 0.003 Å
c	11.151 ± 0.002 Å
α	90°
β	103.59 ± 0.03°
γ	90°
Cell volume	1615 ± 0.6 Å³
Cell temperature	240 K
Ambient diffraction temperature	240 K
Number of distinct elements	4
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	0.09
Residual factor for significantly intense reflections	0.028
Weighted residual factors for all reflections included in the refinement	0.052
RFsqd	0.031
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.56 Å
Diffraction radiation type	synchrotron
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.	4302123.cif
179059	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 4/30/21.	4302123.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302123.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302123.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4302123.cif