Crystallography Open Database

Information card for entry 4503523

Preview

Coordinates	4503523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 N2 O15 U2
Calculated formula	C8 H2 N2 O15 U2
Title of publication	Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks
Authors of publication	Masci, Bernardo; Thuéry, Pierre
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	5
Pages of publication	1689
a	5.8446 ± 0.0003 Å
b	19.1888 ± 0.0012 Å
c	6.8849 ± 0.0004 Å
α	90°
β	102.164 ± 0.004°
γ	90°
Cell volume	754.81 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503523.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503523.cif
41610	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503522, 4503523, 4503524, 4503525, 4503526, 4503527 via cif-deposit CGI script.	4503523.cif