Crystallography Open Database

Information card for entry 4068583

Preview

Coordinates	4068583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 Cl2 N4 Ru
Calculated formula	C13 H18 Cl2 N4 Ru
SMILES	[Ru]12345(Cl)(Cl)(C#[N]CCN=N#N)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
Title of publication	Template Synthesis of Ruthenium Complexes with Saturated and Benzannulated NH,NH-Stabilized N-Heterocyclic Carbene Ligands
Authors of publication	Kaufhold, Oliver; Flores-Figueroa, Aarón; Pape, Tania; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	896
a	5.8684 ± 0.0012 Å
b	15.528 ± 0.003 Å
c	17.33 ± 0.004 Å
α	90°
β	94.179 ± 0.004°
γ	90°
Cell volume	1575 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0644
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068583.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068583.cif
39887	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068583 via cif-deposit CGI script.	4068583.cif