Crystallography Open Database

Information card for entry 4114319

Preview

Coordinates	4114319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 Cl N2 Rh
Calculated formula	C25 H32 Cl N2 Rh
SMILES	[Rh]123(Cl)(=C4N(C(C)C)c5cccc6c5c(N4C(C)C)ccc6)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Constructing a Stable Carbene with a Novel Topology and Electronic Framework
Authors of publication	Patrick Bazinet; Glenn P. A. Yap; Darrin S. Richeson
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13314 - 13315
a	10.241 ± 0.002 Å
b	16.129 ± 0.003 Å
c	14.067 ± 0.003 Å
α	90°
β	104.722 ± 0.004°
γ	90°
Cell volume	2247.3 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0922
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178914 (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 4/11/43.	4114319.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114319.cif
67616	2012-10-01	cif/ Adding structures of 4114319 via cif-deposit CGI script.	4114319.cif