Crystallography Open Database

Information card for entry 7205207

7205206 << 7205207 >> 7205208

Preview

Coordinates	7205207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N6 O18 U3
Calculated formula	C20 H16 N6 O18 U3
Title of publication	Uranyl triazolate formation via an in situ Huisgen 1,3-dipolar cycloaddition reaction
Authors of publication	Knope, Karah E.; Cahill, Christopher L.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	1
Pages of publication	153
a	12.9037 ± 0.0011 Å
b	6.1373 ± 0.0005 Å
c	18.3478 ± 0.0016 Å
α	90°
β	98.45 ± 0.002°
γ	90°
Cell volume	1437.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.028
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
180383 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/52.	7205207.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205207.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205207.cif
14574	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205207 via cif-deposit CGI script.	7205207.cif