Crystallography Open Database

Information card for entry 4303847

Preview

Coordinates	4303847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H95 Cl4 I2 N8 U2
Calculated formula	C52 H84 I2 N8 U2
SMILES	[U]12(N(C(C)(C)C)[U]3(I)(N2C(C)(C)C)(=NC(C)(C)C)[n]2ccc(cc2c2[n]3ccc(c2)C(C)(C)C)C(C)(C)C)(I)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)=NC(C)(C)C
Title of publication	Oxidative Addition to U(V)-U(V) Dimers: Facile Routes to Uranium(VI) Bis(imido) Complexes
Authors of publication	Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	11615 - 11623
a	12.891 ± 0.002 Å
b	13.031 ± 0.002 Å
c	20.734 ± 0.003 Å
α	80.377 ± 0.002°
β	76.684 ± 0.002°
γ	71.538 ± 0.002°
Cell volume	3198.1 ± 0.8 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
179076 (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 4/30/38.	4303847.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303847.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303847.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303847.cif