Crystallography Open Database

Information card for entry 7214906

Preview

Coordinates	7214906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H59 Ce N28 O31
Calculated formula	C39 H50 Ce N28 O31
Title of publication	Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril
Authors of publication	Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8128
a	15.2093 ± 0.0005 Å
b	11.5727 ± 0.0004 Å
c	15.7952 ± 0.0004 Å
α	90°
β	93.599 ± 0.002°
γ	90°
Cell volume	2774.67 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180480 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49.	7214906.cif
110993	2014-04-20	cif/ Adding structures of 7214906, 7214907, 7214908, 7214909, 7214910 via cif-deposit CGI script.	7214906.cif