Crystallography Open Database

Information card for entry 4071898

Preview

Coordinates	4071898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 N2
Calculated formula	C20 H28 N2
SMILES	N([C@@H]([C@@H](N[C@@H](C)c1ccccc1)C)C)[C@@H](C)c1ccccc1
Title of publication	Ruthenium-Based Complexes Bearing Saturated Chiral N-Heterocyclic Carbene Ligands: Dynamic Behavior and Catalysis
Authors of publication	Grisi, Fabia; Costabile, Chiara; Gallo, Emanuela; Mariconda, Annaluisa; Tedesco, Consiglia; Longo, Pasquale
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	18
Pages of publication	4649
a	8.196 ± 0.008 Å
b	9.418 ± 0.01 Å
c	12.004 ± 0.007 Å
α	90°
β	93.13 ± 0.06°
γ	90°
Cell volume	925.2 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1767
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.702
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178607 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18.	4071898.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071898.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071898.cif
44103	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071898, 4071899 via cif-deposit CGI script.	4071898.cif