Crystallography Open Database

Information card for entry 7011631

Preview

Coordinates	7011631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H4 O11 Ru4
Calculated formula	C15 H4 O11 Ru4
SMILES	[CH]123[CH]45[Ru]6781([CH]19[Ru]%1027(C#[O])(C#[O])([CH]29[Ru]7481(C6=O)(C#[O])(C(=O)[Ru]35%1027(C#[O])C#[O])C#[O])C#[O])(C#[O])C#[O]
Title of publication	Synthesis of carbido and related derivatives from calcium carbide and ruthenium carbonyl clusters
Authors of publication	Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	20
Pages of publication	3879
a	11.337 ± 0.002 Å
b	13.456 ± 0.002 Å
c	12.805 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1953.4 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections	2.04
Goodness-of-fit parameter for all reflections included in the refinement	1.61
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.	7011631.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011631.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011631.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011631.cif