Crystallography Open Database

Information card for entry 4106599

Preview

Coordinates	4106599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H43 N8 O2
Calculated formula	C34.5 H42 N8 O2
Title of publication	Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand
Authors of publication	Frank W. Lewis; Laurence M. Harwood; Michael J. Hudson; Michael G. B. Drew; Jean F. Desreux; Geoffrey Vidick; Nouri Bouslimani; Giuseppe Modolo; Andreas Wilden; Michal Sypula; Trong-Hung Vu; Jean-Pierre Simonin
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	13093 - 13102
a	15.553 ± 0.0008 Å
b	10.2067 ± 0.0006 Å
c	20.833 ± 0.002 Å
α	90°
β	103.417 ± 0.007°
γ	90°
Cell volume	3216.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.1276
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	0.87
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106599.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106599.cif
53401	2012-04-19	cif/ Adding structures of 4106599 via cif-deposit CGI script.	4106599.cif