Crystallography Open Database

Information card for entry 4114992

Preview

Coordinates	4114992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H42 Eu2 F6 N12 O15 S2
Calculated formula	C66 H42 Eu2 F6 N12 O15 S2
Title of publication	Cation-Controlled Self-Assembly of a Hexameric Europium Wheel
Authors of publication	Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Marilyn M. Olmstead
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	9012 - 9013
a	31.537 ± 0.003 Å
b	8.8546 ± 0.0008 Å
c	23.933 ± 0.002 Å
α	90°
β	110.637 ± 0.002°
γ	90°
Cell volume	6254.4 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178920 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/49.	4114992.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114992.cif
68377	2012-10-26	cif/ Adding structures of 4114992 via cif-deposit CGI script.	4114992.cif