Crystallography Open Database

Information card for entry 4112505

Preview

Coordinates	4112505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 F6 N4 P Rh
Calculated formula	C22 H38 F6 N4 P Rh
Title of publication	Double C-H Activation in a Rh-NHC Complex Leading to the Isolation of a 14-Electron Rh(III) Complex
Authors of publication	Reto Dorta; Edwin D. Stevens; Steven P. Nolan
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5054 - 5055
a	15.5823 ± 0.0008 Å
b	21.0284 ± 0.001 Å
c	10.3295 ± 0.0005 Å
α	90°
β	128.636 ± 0.001°
γ	90°
Cell volume	2643.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178896 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/25.	4112505.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112505.cif
64897	2012-08-30	cif/ Adding structures of 4112505 via cif-deposit CGI script.	4112505.cif