Crystallography Open Database

Information card for entry 7011373

Preview

Coordinates	7011373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 O11 Ru3 Si
Calculated formula	C30 H25 O11 Ru3 Si
SMILES	[Ru]12([Ru]34([Ru]5([OH]1)(C#[O])(C#[O])(C#[O])[CH]([C]24=[C]3=C(c1ccccc1)c1ccccc1)=[CH]5[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].OC
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	13.398 ± 0.004 Å
b	13.138 ± 0.003 Å
c	10.21 ± 0.004 Å
α	80.98 ± 0.02°
β	76.48 ± 0.03°
γ	89.61 ± 0.02°
Cell volume	1724.9 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.057
Weighted residual factors for all reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections	1.29
Goodness-of-fit parameter for all reflections included in the refinement	1.63
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.	7011373.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011373.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011373.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011373.cif