Crystallography Open Database

Information card for entry 4110686

Preview

Coordinates	4110686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H41 B11 I11 N
Calculated formula	C25 H44.22 B11 I11 N2
Title of publication	An Infrared νNH Scale for Weakly Basic Anions. Implications for Single-Molecule Acidity and Superacidity
Authors of publication	Evgenii S. Stoyanov; Kee-Chan Kim; Christopher A. Reed
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8500 - 8508
a	21.5681 ± 0.0008 Å
b	13.868 ± 0.0005 Å
c	16.4697 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4926.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0379
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
178877 (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 4/11/06.	4110686.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110686.cif
59503	2012-06-12	cif/ Adding structures of 4110686 via cif-deposit CGI script.	4110686.cif