Crystallography Open Database

Information card for entry 4085044

Preview

Coordinates	4085044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H55 Al Cl N2 Rh
Calculated formula	C40 H55 Al Cl N2 Rh
Title of publication	Rhodium Catalyzed, Carbon‒Hydrogen Bond Directed Hydrodefluorination of Fluoroarenes
Authors of publication	Ekkert, Olga; Strudley, Sebastian D. A.; Rozenfeld, Alisa; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7027
a	14.707 ± 0.0003 Å
b	16.7439 ± 0.0004 Å
c	15.6675 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3858.16 ± 0.14 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178739 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50.	4085044.cif
131472	2015-02-07	cif/ Updating files of 4085044 Original log message: Adding full bibliography for 4085044.cif.	4085044.cif
128685	2014-12-13	cif/ Adding structures of 4085044 via cif-deposit CGI script.	4085044.cif