Crystallography Open Database

Information card for entry 4113063

Preview

Coordinates	4113063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H40 Cl N4 Rh
Calculated formula	C23 H40 Cl N4 Rh
SMILES	[Rh]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(N2[C@@H](CC[C@H]2C)C)CCN1N1[C@@H](CC[C@H]1C)C
Title of publication	1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes
Authors of publication	Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13242 - 13243
a	13.2635 ± 0.001 Å
b	17.8218 ± 0.0014 Å
c	21.0178 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4968.2 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178901 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/30.	4113063.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113063.cif
65483	2012-09-05	cif/ Adding structures of 4113063 via cif-deposit CGI script.	4113063.cif