Crystallography Open Database

Information card for entry 7009613

Preview

Coordinates	7009613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N2 O8 Ru2
Calculated formula	C28 H20 N2 O8 Ru2
SMILES	[Ru]12([Ru](C#[O])(C#[O])([O]=C(O1)c1ccccc1)(OC(=[O]2)c1ccccc1)[n]1ccccc1)(C#[O])(C#[O])[n]1ccccc1
Title of publication	A facile and benign synthesis of binuclear ruthenium(I) “sawhorse” complexes
Authors of publication	Kepert, Christopher M.; Deacon, Glen B.; Spiccia, Leone; Fallon, Gary D.; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2867
a	28.095 ± 0.001 Å
b	10.3742 ± 0.0004 Å
c	19.3657 ± 0.0007 Å
α	90°
β	102.774 ± 0.001°
γ	90°
Cell volume	5504.7 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections included in the refinement	0.0265
Goodness-of-fit parameter for all reflections included in the refinement	1.247
Diffraction radiation wavelength	0.7107 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.	7009613.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009613.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009613.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009613.cif