Crystallography Open Database

Information card for entry 4120186

4120185 << 4120186 >> 4120187

Preview

Coordinates	4120186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H38 B F4 I N O P2 Rh
Calculated formula	C21 H38 B F4 I N O P2 Rh
Title of publication	Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics
Authors of publication	Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11040 - 11047
a	15.3625 ± 0.0004 Å
b	11.9931 ± 0.0003 Å
c	15.2949 ± 0.0004 Å
α	90°
β	104.103 ± 0.0015°
γ	90°
Cell volume	2733.06 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4120186.html