Crystallography Open Database

Information card for entry 4113061

Preview

Coordinates	4113061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H48 Cl N4 O2 Rh
Calculated formula	C35 H48 Cl N4 O2 Rh
SMILES	[Rh]123(Cl)(=C4N(N5[C@H](CCC5)COC)[C@H]([C@@H](N4N4[C@H](CCC4)COC)c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
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	9.7983 ± 0.001 Å
b	9.4257 ± 0.001 Å
c	17.9186 ± 0.0019 Å
α	90°
β	92.743 ± 0.002°
γ	90°
Cell volume	1653 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4113061.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113061.cif
65481	2012-09-05	cif/ Adding structures of 4113061 via cif-deposit CGI script.	4113061.cif