Crystallography Open Database

Information card for entry 1507140

Preview

Coordinates	1507140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 O12 Ru3
Calculated formula	C12 O12 Ru3
Title of publication	On the unusual weak intramolecular C...C interactions in Ru3(CO)12: a case of bond path artifacts introduced by the multipole model?
Authors of publication	Farrugia, Louis J.; Senn, Hans Martin
Journal of publication	The journal of physical chemistry. A
Year of publication	2012
Journal volume	116
Journal issue	1
Pages of publication	738 - 746
a	7.9847 ± 0.0003 Å
b	14.6576 ± 0.0006 Å
c	14.3889 ± 0.0006 Å
α	90°
β	100.521 ± 0.002°
γ	90°
Cell volume	1655.72 ± 0.12 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	0.017
Residual factor for significantly intense reflections	0.014
Weighted residual factors for all reflections included in the refinement	0.014
Goodness-of-fit parameter for all reflections included in the refinement	1.458
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
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.	1507140.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507140.cif
51870	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507140 via cif-deposit CGI script.	1507140.cif