Crystallography Open Database

Information card for entry 4311865

Preview

Coordinates	4311865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Br2 N6 O4 P2 U
Calculated formula	C12 H36 Br2 N6 O4 P2 U
SMILES	O=[U](Br)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)(=O)Br
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	10.4645 ± 0.0001 Å
b	10.4645 ± 0.0001 Å
c	23.7805 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2604.1 ± 0.05 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	0.0487
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	4311865.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311865.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311865.cif
3367	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311865 via cif-deposit CGI script.	4311865.cif