Crystallography Open Database

Information card for entry 4510505

Preview

Coordinates	4510505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C202 H302 Cu2 N4 O133 U16
Calculated formula	C202 H292 Cu2 N4 O133 U16
Title of publication	Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species
Authors of publication	Thuéry, Pierre
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2665
a	16.5835 ± 0.0005 Å
b	20.1557 ± 0.0007 Å
c	21.1177 ± 0.0004 Å
α	88.6196 ± 0.0018°
β	87.0438 ± 0.0018°
γ	79.7935 ± 0.0015°
Cell volume	6936.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510505.cif
115659	2014-06-05	cif/ Updating files of 4510499, 4510500, 4510501, 4510502, 4510503, 4510504, 4510505, 4510506, 4510507 Original log message: Adding full bibliography for 4510499--4510507.cif.	4510505.cif
111598	2014-04-25	cif/ Adding structures of 4510499, 4510500, 4510501, 4510502, 4510503, 4510504, 4510505, 4510506, 4510507 via cif-deposit CGI script.	4510505.cif