Crystallography Open Database

Information card for entry 7008899

Preview

Coordinates	7008899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.615 H37.23 Cl1.23 O8 P2 Ru3
Calculated formula	C50.615 H37.23 Cl1.23 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	13.078 ± 0.001 Å
b	24.641 ± 0.002 Å
c	15.348 ± 0.002 Å
α	90°
β	96.585 ± 0.003°
γ	90°
Cell volume	4913.3 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.062
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections	1.537
Goodness-of-fit parameter for all reflections included in the refinement	1.68
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.	7008899.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008899.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008899.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008899.cif