Crystallography Open Database

Information card for entry 7202849

7202848 << 7202849 >> 7202850

Preview

Coordinates	7202849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H103 Ba Cl9 O20 U
Calculated formula	C69 H98 Ba Cl9 O20 U
Title of publication	Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes
Authors of publication	Bernardo Masci; Pierre Thuéry
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	7
Pages of publication	582
a	25.512 ± 0.0005 Å
b	25.512 ± 0.0005 Å
c	12.9978 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8459.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
180359 (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 7/20/28.	7202849.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202849.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202849.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202849.cif