Crystallography Open Database

Information card for entry 7200846

7200845 << 7200846 >> 7200847

Preview

Coordinates	7200846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H68 N28 O35 U2
Calculated formula	C44 H46 N28 O35 U2
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	17.8166 ± 0.0008 Å
b	20.4976 ± 0.0009 Å
c	19.134 ± 0.0007 Å
α	90°
β	90.607 ± 0.003°
γ	90°
Cell volume	6987.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7200846.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200846.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200846.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200846.cif