Crystallography Open Database

Information card for entry 4115407

Preview

Coordinates	4115407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.6 H18.8 F4 N2 O23 Si9 U2
Calculated formula	C8.64 F4 N1.99 O23 Si9 U2
Title of publication	[(CH3)4N][(C5H5NH)0.8((CH3)3NH)0.2]U2Si9O23F4(USH-8): An Organically Templated Open-Framework Uranium Silicate
Authors of publication	Xiqu Wang; Jin Huang; Allan J. Jacobson
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	15190 - 15191
a	14.063 ± 0.003 Å
b	7.4093 ± 0.0015 Å
c	15.285 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1592.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.1467
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115407.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115407.cif
68971	2012-11-29	smi/7 Adding SMILES for amonium compounds.	4115407.cif
68878	2012-11-21	cif/ Adding structures of 4115407 via cif-deposit CGI script.	4115407.cif