Crystallography Open Database

Information card for entry 7008898

Preview

Coordinates	7008898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 O10 Ru3
Calculated formula	C12 H2 O10 Ru3
Title of publication	Preparation and structural characterisation of some ruthenium cluster carbonyls containing allenylidene ligands †
Authors of publication	Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	6
Pages of publication	881
a	14.611 ± 0.0017 Å
b	16.761 ± 0.002 Å
c	17.082 ± 0.002 Å
α	88.463 ± 0.002°
β	65.661 ± 0.002°
γ	66.17 ± 0.002°
Cell volume	3437.2 ± 0.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections	2.039
Goodness-of-fit parameter for all reflections included in the refinement	2.405
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7008898.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008898.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008898.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008898.cif