Crystallography Open Database

Information card for entry 4117960

Preview

Coordinates	4117960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25
Calculated formula	C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25
Title of publication	Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel
Authors of publication	Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8372 - 8375
a	45.7446 ± 0.0011 Å
b	31.0966 ± 0.0005 Å
c	45.7325 ± 0.0011 Å
α	90°
β	92.945 ± 0.002°
γ	90°
Cell volume	64969 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.2913
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.70093 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178950 (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 4/11/79.	4117960.cif
75103	2013-03-07	cif/ Adding structures of 4117960 via cif-deposit CGI script.	4117960.cif