Crystallography Open Database

Information card for entry 7008894

Preview

Coordinates	7008894.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 22
Formula	C42 H25 Au O9 P Ru3
Calculated formula	C42 H25 Au O9 P 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	16.573 ± 0.007 Å
b	13.754 ± 0.006 Å
c	9.797 ± 0.006 Å
α	99.18 ± 0.04°
β	95.47 ± 0.04°
γ	106.11 ± 0.03°
Cell volume	2094.9 ± 1.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections	0.052
Weighted residual factors for significantly intense reflections	0.046
Goodness-of-fit parameter for all reflections	1.626
Goodness-of-fit parameter for significantly intense reflections	1.88
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
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.	7008894.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008894.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008894.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008894.cif