Crystallography Open Database

Information card for entry 7111547

Preview

Coordinates	7111547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H36 Cl N2 O Rh
Calculated formula	C29 H36 Cl N2 O Rh
SMILES	[Rh]123(Cl)(=C4N(C(=O)CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Imidazol-2-ylidene-4-olate: an anionic N-heterocyclic carbene pre-programmed for further derivatization
Authors of publication	Benhamou, Laure; César, Vincent; Gornitzka, Heinz; Lugan, Noël; Lavigne, Guy
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	31
Pages of publication	4720 - 4722
a	12.5523 ± 0.0005 Å
b	13.1214 ± 0.0004 Å
c	17.4887 ± 0.0007 Å
α	73.019 ± 0.002°
β	89.92 ± 0.001°
γ	77.013 ± 0.002°
Cell volume	2678.02 ± 0.18 Å³
Cell temperature	176 ± 2 K
Ambient diffraction temperature	176 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111547.cif
96649	2014-01-29	cif/ Adding structures of 7111545, 7111546, 7111547 via cif-deposit CGI script.	7111547.cif