Crystallography Open Database

Information card for entry 4068585

Preview

Coordinates	4068585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 I2 N2 Ru
Calculated formula	C13 H20 I2 N2 Ru
SMILES	[Ru]12345(I)(I)(=C6NCCN6)[cH]6[c]5([cH]4[cH]3[c]2([cH]16)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	8.0779 ± 0.0012 Å
b	25.339 ± 0.004 Å
c	8.4881 ± 0.0012 Å
α	90°
β	110.13 ± 0.003°
γ	90°
Cell volume	1631.3 ± 0.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	4068585.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068585.cif
39889	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068585 via cif-deposit CGI script.	4068585.cif