Crystallography Open Database

Information card for entry 7203553

7203552 << 7203553 >> 7203554

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Coordinates	7203553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H120 Ba N2 O24 U
Calculated formula	C68 H120 Ba N2 O24 U
Title of publication	Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^
Authors of publication	Bernardo Masci; Pierre Thuéry
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	10
Pages of publication	764
a	12.8244 ± 0.0003 Å
b	22.0852 ± 0.0005 Å
c	29.4456 ± 0.0008 Å
α	90°
β	91.312 ± 0.001°
γ	90°
Cell volume	8337.7 ± 0.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
189177 (current)	2016-12-17	cif/7/20/35/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7203551, 7203552, 7203553, 7203554.	7203553.cif
180366	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 7/20/35.	7203553.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7203553.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203553.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203553.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7203553.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203553.cif