Crystallography Open Database

Information card for entry 7013895

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Coordinates	7013895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 O2 Ru Si
Calculated formula	C14 H14 O2 Ru Si
SMILES	[Ru]1234(C#[O])(C#[O])(C#CC#C[Si](C)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.
Authors of publication	Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	10
Pages of publication	1601 - 1609
a	6.6958 ± 0.0006 Å
b	16.119 ± 0.001 Å
c	21.291 ± 0.002 Å
α	82.12 ± 0.002°
β	88.887 ± 0.002°
γ	89.629 ± 0.002°
Cell volume	2275.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.067
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections	1.205
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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.	7013895.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013895.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013895.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013895.cif