Crystallography Open Database

Information card for entry 7112159

Preview

Coordinates	7112159.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dimesitylsilanediol with 4,4'-dipyridyl solvate
Formula	C24 H30 Cl2 N O2 Si
Calculated formula	C24 H30 Cl2 N O2 Si
Title of publication	Supramolecular hydrogen-bonding assembly of silanediols with bifunctional heterocycles
Authors of publication	Tran, Ngon T.; Wilson, Sean O.; Franz, Annaliese K.
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3738
a	8.4628 ± 0.0015 Å
b	12.198 ± 0.003 Å
c	12.589 ± 0.002 Å
α	99.002 ± 0.018°
β	98.19 ± 0.02°
γ	108.44 ± 0.02°
Cell volume	1191.8 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
138945 (current)	2015-06-09	cif/7/11/ (antanas@echidna.ibt.lt) Removing tags citting the parts of the original paper from CIFs 7112156, 7112157, 7112158, 7112159.	7112159.cif
107450	2014-03-19	cif/ Adding structures of 7112156, 7112157, 7112158, 7112159 via cif-deposit CGI script.	7112159.cif