Crystallography Open Database

Information card for entry 4313817

Preview

Coordinates	4313817.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[cy3SnCl] at 298K
Formula	C18 H33 Cl Sn
Calculated formula	C18 H33 Cl Sn
SMILES	C1(CCCCC1)[Sn](Cl)(C1CCCCC1)C1CCCCC1
Title of publication	The Structure of Tri(cyclohexyl)tin Chloride between 108 and 298 K: A Compound in Which Molecular Dimensions Vary with Temperature
Authors of publication	Ashrafomolouk Asadi; Colin Eaborn; Peter B. Hitchcock; Margaret M. Meehan; J. David Smith
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4141 - 4146
a	10.5453 ± 0.0004 Å
b	17.1991 ± 0.0007 Å
c	5.713 ± 0.0002 Å
α	90°
β	107.392 ± 0.002°
γ	90°
Cell volume	988.79 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
179204 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/38.	4313817.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313817.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313817.cif
6887	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313817 via cif-deposit CGI script.	4313817.cif