Crystallography Open Database

Information card for entry 4500083

Preview

Coordinates	4500083.cif

Structure parameters

Common name	tetrakis(4-hydroxyphenyl)silane - water clathrate
Formula	C24 H22 O5 Si
Calculated formula	C24 H22 O5 Si
SMILES	[Si](c1ccc(cc1)O)(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O.O
Title of publication	Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane
Authors of publication	Jean-Hugues Fournier; Thierry Maris; Michel Simard; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2003
Journal volume	2
Pages of publication	535 - 540
a	14.962 ± 0.009 Å
b	15.855 ± 0.011 Å
c	19.697 ± 0.013 Å
α	90°
β	111.49 ± 0.05°
γ	90°
Cell volume	4348 ± 5 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	4
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	0.121
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179531 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/00.	4500083.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500083.cif
26826	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 4500081, 4500082, 4500083 via cif-deposit CGI script.	4500083.cif