Crystallography Open Database

Information card for entry 4110637

Preview

Coordinates	4110637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 I2 K N7 O2 U
Calculated formula	C35 H35 I2 K N7 O2 U
SMILES	[U](=O)(=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[I-].[I-].[K+].n1ccccc1.n1ccccc1
Title of publication	Synthesis and Structure of a Stable Pentavalent-Uranyl Coordination Polymer
Authors of publication	Louise Natrajan; Fabien Burdet; Jacques Pécaut; Marinella Mazzanti
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	7152 - 7153
a	12.9427 ± 0.0018 Å
b	19.328 ± 0.003 Å
c	16.081 ± 0.002 Å
α	90°
β	100.639 ± 0.002°
γ	90°
Cell volume	3953.6 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.0166
Residual factor for significantly intense reflections	0.014
Weighted residual factors for significantly intense reflections	0.0343
Weighted residual factors for all reflections included in the refinement	0.0354
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178877 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06.	4110637.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110637.cif
59437	2012-06-06	cif/ Adding structures of 4110637 via cif-deposit CGI script.	4110637.cif