Crystallography Open Database

Information card for entry 7008897

Preview

Coordinates	7008897.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 20
Formula	C48 H32 O8 P2 Ru3
Calculated formula	C48 H32 O8 P2 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	10.3021 ± 0.0008 Å
b	10.0375 ± 0.0008 Å
c	42.729 ± 0.003 Å
α	90°
β	94.181 ± 0.001°
γ	90°
Cell volume	4406.7 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections	0.057
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for all reflections	1.801
Goodness-of-fit parameter for significantly intense reflections	2.039
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.	7008897.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008897.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008897.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008897.cif