Crystallography Open Database

Information card for entry 7008895

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Coordinates	7008895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H42 O8 P2 Ru3
Calculated formula	C58 H42 O8 P2 Ru3
SMILES	[Ru]12([OH][Ru]([C]13=[C](=C(c1ccccc1)c1ccccc1)[Ru]3(C#[O])(C#[O])(C#[O])[H]2)(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	10.66 ± 0.001 Å
b	14.393 ± 0.004 Å
c	34.288 ± 0.011 Å
α	90°
β	95.38 ± 0.02°
γ	90°
Cell volume	5238 ± 2 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	0.117
Residual factor for significantly intense reflections	0.055
Weighted residual factors for all reflections	0.065
Weighted residual factors for significantly intense reflections	0.054
Goodness-of-fit parameter for all reflections	1.528
Goodness-of-fit parameter for significantly intense reflections	1.778
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.	7008895.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008895.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008895.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7008895.cif