Crystallography Open Database

Information card for entry 4112748

Preview

Coordinates	4112748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H35 Cl N Rh
Calculated formula	C19 H35 Cl N Rh
SMILES	[Rh]123(Cl)(=C(N(C(C)C)C(C)C)C(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene
Authors of publication	Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8670 - 8671
a	15.054 ± 0.004 Å
b	15.617 ± 0.004 Å
c	17.04 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4006.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
178898 (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 4/11/27.	4112748.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112748.cif
65161	2012-09-05	cif/ Adding structures of 4112748 via cif-deposit CGI script.	4112748.cif