Crystallography Open Database

Information card for entry 7214909

Preview

Coordinates	7214909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H312 Dy5 N115 O163 S4
Calculated formula	C164 H185 Dy5 N115 O163 S4
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	25.4155 ± 0.0002 Å
b	18.8099 ± 0.0002 Å
c	29.8228 ± 0.0003 Å
α	90°
β	93.6325 ± 0.0006°
γ	90°
Cell volume	14228.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7214909.cif
110993	2014-04-20	cif/ Adding structures of 7214906, 7214907, 7214908, 7214909, 7214910 via cif-deposit CGI script.	7214909.cif