Crystallography Open Database

Information card for entry 7115022

Preview

Coordinates	7115022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H18 N2 O16 P4 U2
Calculated formula	C4 H18 N2 O16 P4 U2
Title of publication	Synthesis and characterisation of (C4N2H12)(UO2)2(PO3H)2{PO2(OH)H}2: a three dimensionally connected actinide framework
Authors of publication	Doran, Michael; Walker, Susan M.; O’Hare, Dermot
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	19
Pages of publication	1988
a	13.758 ± 0.005 Å
b	8.18 ± 0.005 Å
c	18.037 ± 0.005 Å
α	90 ± 0.005°
β	106.647 ± 0.005°
γ	90 ± 0.005°
Cell volume	1944.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0709
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115022.cif
118486	2014-06-30	cif/ Adding structures of 7115022 via cif-deposit CGI script.	7115022.cif