Crystallography Open Database

Information card for entry 7008892

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Coordinates	7008892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H14 O10 Ru3
Calculated formula	C25 H14 O10 Ru3
SMILES	[Ru]12([Ru]34([Ru]5(C#[O])(C#[O])(C#[O])([C]24=[C]5=C(c2ccccc2)c2ccccc2)[O]3C)(C#[O])(C#[O])(C#[O])[H]1)(C#[O])(C#[O])C#[O]
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	19.279 ± 0.002 Å
b	18.672 ± 0.002 Å
c	7.7598 ± 0.0009 Å
α	90.257 ± 0.002°
β	97.639 ± 0.002°
γ	99.825 ± 0.002°
Cell volume	2726.9 ± 0.5 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	0.084
Residual factor for significantly intense reflections	0.046
Weighted residual factors for all reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections	1.236
Goodness-of-fit parameter for all reflections included in the refinement	1.408
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.	7008892.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008892.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008892.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008892.cif