Crystallography Open Database

Information card for entry 4303539

Preview

Coordinates	4303539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H9 B F15 N
Calculated formula	C25 H9 B F15 N
SMILES	[n]1([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(C)cccc1C
Title of publication	From Classical Adducts to Frustrated Lewis Pairs: Steric Effects in the Interactions of Pyridines and B(C6F5)3
Authors of publication	Stephen J. Geier; Austin L. Gille; Thomas M. Gilbert; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10466 - 10474
a	12.8108 ± 0.0004 Å
b	13.4663 ± 0.0004 Å
c	13.3937 ± 0.0004 Å
α	90°
β	100.156 ± 0.002°
γ	90°
Cell volume	2274.4 ± 0.12 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0709
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1475
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
179073 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/35.	4303539.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303539.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303539.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303539.cif