Crystallography Open Database

Information card for entry 7011376

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Coordinates	7011376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 O10 Ru3
Calculated formula	C50 H34 O10 Ru3
SMILES	[Ru]1234([Ru]56([Ru]1(C#[O])(C#[O])(C#[O])([C]6([C]35=[C]2(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1)[OH]4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1ccccc1.c1ccccc1
Title of publication	Some reactions of allenylidene-ruthenium cluster carbonyls with alkynes
Authors of publication	Michael I. Bruce; Natasha N. Zaitseva; Brian W. Skelton; Allan H. White
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	8
Pages of publication	1678 - 1686
a	10.8403 ± 0.001 Å
b	11.3445 ± 0.001 Å
c	19.726 ± 0.002 Å
α	82.429 ± 0.002°
β	88.921 ± 0.002°
γ	68.909 ± 0.002°
Cell volume	2242.5 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.054
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections	1.078
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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.	7011376.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011376.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011376.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011376.cif