Crystallography Open Database

Information card for entry 4070557

Preview

Coordinates	4070557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 Cl2 N3 Rh
Calculated formula	C16 H28 Cl2 N3 Rh
SMILES	[Rh]123(Cl)(Cl)[CH]4CC[CH]1=[CH]3CC[CH]2=4.n1(c[n+](cc1)CCN(C)C)C
Title of publication	Rhodium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient Alkyne Hydrosilylation Catalysts
Authors of publication	Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Gierz, Verena; Lahoz, Fernando J.; Oro, Luis A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	224
a	36.9644 ± 0.001 Å
b	36.9644 ± 0.001 Å
c	7.2845 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	8619.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178594 (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 4/07/05.	4070557.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070557.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070557.cif
42558	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070557 via cif-deposit CGI script.	4070557.cif