Crystallography Open Database

Information card for entry 7200845

7200844 << 7200845 >> 7200846

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Coordinates	7200845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H80 N32 O55 U4
Calculated formula	C42 H76 N32 O55 U4
Title of publication	Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality
Authors of publication	Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	6
Pages of publication	1150
a	29.9954 ± 0.0008 Å
b	17.6794 ± 0.0007 Å
c	20.5253 ± 0.0006 Å
α	90°
β	127.974 ± 0.002°
γ	90°
Cell volume	8580.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180339 (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 7/20/08.	7200845.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200845.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200845.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200845.cif