Crystallography Open Database

Information card for entry 4103589

Preview

Coordinates	4103589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 F6 P Rh Sb
Calculated formula	C27 H35 F6 P Rh Sb
SMILES	[Rh]1234567([P]([C]87=[C]6(C5)C=CC=C8C)(C)c5c(cccc5C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C.[Sb](F)(F)(F)(F)(F)[F-]
Title of publication	A Cationic Rh(III) Complex That Efficiently Catalyzes Hydrogen Isotope Exchange in Hydrosilanes
Authors of publication	Jesús Campos; Ana C. Esqueda; Joaquín López-Serrano; Luis Sánchez; Fernando P. Cossio; Abel de Cozar; Eleuterio Álvarez; Celia Maya; Ernesto Carmona
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	16765 - 16767
a	25.6591 ± 0.0013 Å
b	7.8808 ± 0.0004 Å
c	13.9773 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2826.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178781 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/35.	4103589.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103589.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103589.cif
26579	2011-09-22	../uploads/cif-deposit/cod/cif Adding structures of 4103589 via cif-deposit CGI script.	4103589.cif