Crystallography Open Database

Information card for entry 7118296

Preview

Coordinates	7118296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H143 Dy3 Fe6 N6 O51
Calculated formula	C101 H107 Dy3 Fe6 N6 O43
Title of publication	Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).
Authors of publication	Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	5
Pages of publication	1021 - 1024
a	29.2726 ± 0.0009 Å
b	26.0163 ± 0.0008 Å
c	20.8386 ± 0.0006 Å
α	90°
β	125.139 ± 0.001°
γ	90°
Cell volume	12977.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0816
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1926
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	1.549
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
173518 (current)	2016-01-06	cif/ Adding structures of 7118295, 7118296, 7118297, 7118298, 7118299, 7118300, 7118301, 7118302 via cif-deposit CGI script.	7118296.cif