Crystallography Open Database

Information card for entry 4071333

Preview

Coordinates	4071333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148.5 H171 Cl16.5 N12 O1.5 P3 Rh3
Calculated formula	C148.5 H171 Cl16.5 N12 O1.5 P3 Rh3
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	15.964 ± 0.002 Å
b	19.617 ± 0.003 Å
c	25.72 ± 0.004 Å
α	94.133 ± 0.012°
β	101.237 ± 0.01°
γ	103.493 ± 0.01°
Cell volume	7624 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2865
Residual factor for significantly intense reflections	0.1008
Weighted residual factors for significantly intense reflections	0.2116
Weighted residual factors for all reflections included in the refinement	0.279
Goodness-of-fit parameter for all reflections included in the refinement	0.821
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.	4071333.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071333.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071333.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.	4071333.cif