Crystallography Open Database

Information card for entry 4071334

Preview

Coordinates	4071334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H71 I3 N4 O1.5 P2 Rh
Calculated formula	C53 H56 I3 N4 P2 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	20.4631 ± 0.0008 Å
b	17.5908 ± 0.0005 Å
c	17.3128 ± 0.0006 Å
α	90°
β	113.3 ± 0.003°
γ	90°
Cell volume	5723.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0978
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.2704
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4071334.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071334.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071334.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.	4071334.cif