Crystallography Open Database

Information card for entry 4101771

Preview

Coordinates	4101771.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Rh((C6H4)PPh2)(trop2PPh)]
Formula	C112 H92 O P4 Rh2
Calculated formula	C114.465 H82 P4 Rh2
Title of publication	Rhodium(0) Metalloradicals in Binuclear C-H Activation
Authors of publication	Florian F. Puschmann; Hansjörg Grützmacher; Bas de Bruin
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	73 - 75
a	12.245 ± 0.003 Å
b	14.106 ± 0.003 Å
c	15.104 ± 0.003 Å
α	63.58 ± 0.03°
β	78.33 ± 0.03°
γ	66.59 ± 0.03°
Cell volume	2143.1 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0493
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178763 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17.	4101771.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101771.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101771.cif
24589	2011-09-06	../uploads/cif-deposit/cod/cif Adding structures of 4101771 via cif-deposit CGI script.	4101771.cif