Crystallography Open Database

Information card for entry 4312214

Preview

Coordinates	4312214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H25 F13 N4 O4 U3
Calculated formula	C6 F13 N4 O4 U3
Title of publication	[N(CH2CH2NH3)3][U3O2F13].2H2O: A Novel Organically Templated Mixed-Valent Uranium Oxyfluoride with a Hybrid Network Structure
Authors of publication	Chih-Min Wang; Chia-Hsien Liao; Hsiu-Mei Lin; Kwang-Hwa Lii
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8239 - 8241
a	8.6876 ± 0.0004 Å
b	7.3158 ± 0.0004 Å
c	16.3376 ± 0.0008 Å
α	90°
β	93.7285 ± 0.0009°
γ	90°
Cell volume	1036.17 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179161 (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 4/31/22.	4312214.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312214.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312214.cif
3719	2010-11-17	../uploads/cif-deposit/cod/cif Adding structures of 4312214 via cif-deposit CGI script.	4312214.cif