Crystallography Open Database

Information card for entry 4111825

Preview

Coordinates	4111825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H57 B2 Br0.1 Cl2.9 N3 Rh
Calculated formula	C43 H57 B2 Br0.1 Cl2.9 N3 Rh
Title of publication	Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties
Authors of publication	Carsten Präsang; Bruno Donnadieu; Guy Bertrand
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10182 - 10183
a	12.2603 ± 0.0009 Å
b	13.0163 ± 0.0011 Å
c	25.6615 ± 0.0018 Å
α	90°
β	92.173 ± 0.004°
γ	90°
Cell volume	4092.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111825.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111825.cif
63437	2012-08-01	cif/ Adding structures of 4111825 via cif-deposit CGI script.	4111825.cif