Crystallography Open Database

Information card for entry 4075077

Preview

Coordinates	4075077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl N2 O Rh
Calculated formula	C20 H24 Cl N2 O Rh
SMILES	[CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234(=C1N(C=CN1CC(=O)c1ccccc1)C)Cl
Title of publication	New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions
Authors of publication	Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2359
a	9.9376 ± 0.0003 Å
b	9.7772 ± 0.0003 Å
c	19.4287 ± 0.0006 Å
α	90°
β	96.898 ± 0.001°
γ	90°
Cell volume	1874.07 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0304
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
178639 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/50.	4075077.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075077.cif
49051	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075077 via cif-deposit CGI script.	4075077.cif