Crystallography Open Database

Information card for entry 4112240

Preview

Coordinates	4112240.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PVi4]+[BPh4]-
Formula	C32 H32 B P
Calculated formula	C32 H32 B P
Title of publication	The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+
Authors of publication	Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	1632 - 1633
a	19.3966 ± 0.0003 Å
b	13.7062 ± 0.0002 Å
c	9.916 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2636.21 ± 0.06 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
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	0.0524
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
178893 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/22.	4112240.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112240.cif
64608	2012-08-20	cif/ Adding structures of 4112240 via cif-deposit CGI script.	4112240.cif