Crystallography Open Database

Information card for entry 7011632

Preview

Coordinates	7011632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H4 O15 Ru6
Calculated formula	C19 H4 O15 Ru6
SMILES	[Ru]12345([Ru]6789%10([Ru]%11%12%13([Ru]%14%151([Ru]26%11([C]48%13%15[Ru]37%12%14(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[CH]9=[C]5%10C)(C#[O])(C#[O])C#[O])(C#[O])(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	16.956 ± 0.0009 Å
b	9.4025 ± 0.0005 Å
c	32.929 ± 0.003 Å
α	90°
β	93.079 ± 0.001°
γ	90°
Cell volume	5242.3 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections	1.504
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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.	7011632.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011632.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011632.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011632.cif