Crystallography Open Database

Information card for entry 7052317

Preview

Coordinates	7052317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H81 Cl4 N9 O4 U2
Calculated formula	C82 H76 Cl4 N8 O4 U2
Title of publication	Synthesis, structure and magnetic behaviour of dinuclear uranium(<small>IV</small>) complexes with a ‘calixsalophen’ type macrocycle
Authors of publication	Lionel Salmon; Pierre Thuéry; Eric Rivière; Shinpei Miyamoto; Takehiko Yamato; Michel Ephritikhine
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	8
Pages of publication	1220
a	14.2822 ± 0.0009 Å
b	12.0928 ± 0.0003 Å
c	21.8206 ± 0.0012 Å
α	90°
β	91.604 ± 0.003°
γ	90°
Cell volume	3767.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.055
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180077 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/23.	7052317.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052317.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052317.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052317.cif