Crystallography Open Database

Information card for entry 4080925

Preview

Coordinates	4080925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H45 F5 P3 Rh
Calculated formula	C24 H45 F5 P3 Rh
SMILES	c1(c(c(c(c(c1F)F)F)F)F)[Rh]([P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Rhodium(I) Silyl Complexes for C‒F Bond Activation Reactions of Aromatic Compounds: Experimental and Computational Studies
Authors of publication	Raza, Anna Lena; Panetier, Julien A.; Teltewskoi, Michael; Macgregor, Stuart A.; Braun, Thomas
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	14
Pages of publication	3795
a	9.3377 ± 0.0003 Å
b	18.079 ± 0.0004 Å
c	16.746 ± 0.0005 Å
α	90°
β	91.021 ± 0.002°
γ	90°
Cell volume	2826.55 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178698 (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 4/08/09.	4080925.cif
87951	2013-08-27	cif/ Adding structures of 4080925 via cif-deposit CGI script.	4080925.cif