Crystallography Open Database

Information card for entry 4070556

Preview

Coordinates	4070556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 Cl N3 Rh
Calculated formula	C16 H27 Cl N3 Rh
SMILES	[Rh]123(Cl)(=C4N(C=CN4CCN(C)C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4
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	10.3428 ± 0.0007 Å
b	13.0938 ± 0.0009 Å
c	12.7756 ± 0.0009 Å
α	90°
β	97.251 ± 0.001°
γ	90°
Cell volume	1716.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0258
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	4070556.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070556.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070556.cif
42557	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070556 via cif-deposit CGI script.	4070556.cif