Crystallography Open Database

Information card for entry 4071327

Preview

Coordinates	4071327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H69 Cl15 I6 N8 Rh2
Calculated formula	C59 H69 Cl15 I6 N8 Rh2
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	21.4732 ± 0.001 Å
b	18.5585 ± 0.0006 Å
c	21.8116 ± 0.001 Å
α	90°
β	94.105 ± 0.004°
γ	90°
Cell volume	8669.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2074
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
178602 (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 4/07/13.	4071327.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071327.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071327.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.	4071327.cif