Crystallography Open Database

Information card for entry 4121001

Preview

Coordinates	4121001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H44 N O2 P2 Rh
Calculated formula	C23 H44 N O2 P2 Rh
Title of publication	Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies
Authors of publication	Marc D. Walter; Peter S. White; Cynthia K. Schauer; Maurice Brookhart
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	15933 - 15947
a	8.3366 ± 0.0003 Å
b	12.2975 ± 0.0004 Å
c	13.5277 ± 0.0005 Å
α	100.065 ± 0.002°
β	96.798 ± 0.002°
γ	105.223 ± 0.002°
Cell volume	1297.75 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179012 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/10.	4121001.cif
107175	2014-03-18	cif/ Adding structures of 4121001 via cif-deposit CGI script.	4121001.cif