Crystallography Open Database

Information card for entry 4311862

Preview

Coordinates	4311862.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diiodo-bis(hexamethylphosphoramide)dioxouranium(VI)
Chemical name	diiodo-bis(hexamethylphosphoramide)dioxouranium(VI)
Formula	C12 H36 I2 N6 O4 P2 U
Calculated formula	C12 H36 I2 N6 O4 P2 U
SMILES	I[U](=O)(I)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)=O
Title of publication	Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides
Authors of publication	Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7120 - 7126
a	10.6519 ± 0.0003 Å
b	10.6519 ± 0.0003 Å
c	24.0758 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2731.71 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	202 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
179157 (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 4/31/18.	4311862.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311862.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311862.cif
3364	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311862 via cif-deposit CGI script.	4311862.cif