Crystallography Open Database

Information card for entry 4071331

Preview

Coordinates	4071331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H41.5 I3 N8.5 Rh
Calculated formula	C34 H41.5 I3 N8.5 Rh
Title of publication	Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation
Authors of publication	Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3161
a	11.2799 ± 0.0006 Å
b	12.3517 ± 0.0006 Å
c	15.2258 ± 0.0008 Å
α	102.957 ± 0.004°
β	101.685 ± 0.004°
γ	94.4 ± 0.004°
Cell volume	2007.85 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	0.859
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
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.	4071331.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071331.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071331.cif
43156	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071327, 4071328, 4071329, 4071330, 4071331, 4071332, 4071333, 4071334 via cif-deposit CGI script.	4071331.cif