Crystallography Open Database

Information card for entry 7008893

Preview

Coordinates	7008893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.554 H35.108 Cl1.108 O8 P2 Ru3
Calculated formula	C47.554 H33.108 Cl1.108 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	20.743 ± 0.006 Å
b	11.6 ± 0.005 Å
c	19.813 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4767 ± 3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections	1.298
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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.	7008893.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008893.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008893.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008893.cif