Crystallography Open Database

Information card for entry 7111757

Preview

Coordinates	7111757.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pentakis(trimethylphosphine)rhodium(i) tetra(pentafluorophenyl)borate
Chemical name	pentakis(trimethylphosphine)rhodium(I) tetra(pentafluorophenyl)borate
Formula	C39 H45 B F20 P5 Rh
Calculated formula	C39 H45 B F20 P5 Rh
SMILES	[Rh]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Synthesis and structures of the homoleptic cations [M(PMe3)5]+ (M = Rh, Ir)
Authors of publication	Rivers, Joseph H.; Jones, Richard A.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4300 - 4302
a	12.7999 ± 0.0008 Å
b	13.4422 ± 0.0008 Å
c	15.4812 ± 0.0009 Å
α	111.879 ± 0.001°
β	99.044 ± 0.002°
γ	103.507 ± 0.002°
Cell volume	2313.7 ± 0.2 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	0.0937
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111757.cif
96767	2014-01-29	cif/ Adding structures of 7111756, 7111757, 7111758, 7111759 via cif-deposit CGI script.	7111757.cif