Crystallography Open Database

Information card for entry 1502714

Preview

Coordinates	1502714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 O12 Ru3
Calculated formula	C12 O12 Ru3
Title of publication	Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions.
Authors of publication	Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra
Journal of publication	The journal of physical chemistry. A
Year of publication	2010
Journal volume	114
Journal issue	34
Pages of publication	9368 - 9373
a	7.9959 ± 0.0002 Å
b	14.6373 ± 0.0008 Å
c	14.3746 ± 0.0008 Å
α	90°
β	100.578 ± 0.01°
γ	90°
Cell volume	1653.79 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0208
Weighted residual factors for all reflections	0.0199
Goodness-of-fit parameter for all reflections	1.0206
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502714.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502714.cif
36665	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502714 via cif-deposit CGI script.	1502714.cif