Crystallography Open Database

Information card for entry 4510837

Preview

Coordinates	4510837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Cl2 N2 Ru
Calculated formula	C14 H22 Cl2 N2 Ru
SMILES	C1[C]2(C)=[CH]3CC[CH]4=[C]5(C)C[Ru]12345([n]1cn(cc1)C)(Cl)Cl
Title of publication	Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand
Authors of publication	Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian
Journal of publication	ACS Catalysis
Year of publication	2012
Journal volume	2
Journal issue	10
Pages of publication	2087
a	16.9808 ± 0.0003 Å
b	8.2512 ± 0.0001 Å
c	27.3173 ± 0.0005 Å
α	90°
β	122.317 ± 0.001°
γ	90°
Cell volume	3234.62 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510837.cif
113554	2014-05-13	cif/ Adding structures of 4510837 via cif-deposit CGI script.	4510837.cif