Crystallography Open Database

Information card for entry 7007293

Preview

Coordinates	7007293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H12 Cl5 Fe O9 Ru
Calculated formula	C3 H12 Cl5 Fe O9 Ru
SMILES	[Ru](Cl)(Cl)(Cl)(C#[O])(C#[O])C#[O].[Fe](Cl)(Cl)([OH2])([OH2])([OH2])[OH2].O.O
Title of publication	The subtle effects of iron-containing metal surfaces on the reductive carbonylation of RuCl3.
Authors of publication	Haukka, Matti; Jakonen, Minna; Nivajärvi, Taina; Kallinen, Mirja
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	26
Pages of publication	3212 - 3220
a	11.7975 ± 0.0005 Å
b	9.4944 ± 0.0002 Å
c	15.1011 ± 0.0006 Å
α	90°
β	107.635 ± 0.002°
γ	90°
Cell volume	1611.99 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
179776 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/72.	7007293.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007293.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007293.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007293.cif