Crystallography Open Database

Information card for entry 4314642

Preview

Coordinates	4314642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H95 N4 O U
Calculated formula	C79 H95 N4 O U
Title of publication	Actinide Redox-Active Ligand Complexes: Reversible Intramolecular Electron-Transfer in U(dpp-BIAN)2/U(dpp-BIAN)2(THF)
Authors of publication	Eric J. Schelter; Ruilian Wu; Brian L. Scott; Joe D. Thompson; Thibault Cantat; Kevin D. John; Enrique R. Batista; David E. Morris; Jaqueline L. Kiplinger
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	924 - 933
a	12.269 ± 0.003 Å
b	13.372 ± 0.003 Å
c	21.409 ± 0.005 Å
α	93.021 ± 0.003°
β	97.022 ± 0.003°
γ	108.985 ± 0.003°
Cell volume	3280.4 ± 1.3 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
179224 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46.	4314642.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314642.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314642.cif
7785	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314642 via cif-deposit CGI script.	4314642.cif