Crystallography Open Database

Information card for entry 4110501

Preview

Coordinates	4110501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4
Calculated formula	C142 H176 B4 F12 Fe4 N78 Ni4 O27 S4
Title of publication	An S=6 Cyanide-Bridged Octanuclear FeIII4NiII4 Complex that Exhibits Slow Relaxation of the Magnetization
Authors of publication	Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Rodolphe Clérac; Wolfgang Wernsdorfer; Stephen M. Holmes
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4214 - 4215
a	25.3637 ± 0.0001 Å
b	25.3637 ± 0.0001 Å
c	68.031 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	43765.5 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	9
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1681
Residual factor for significantly intense reflections	0.1148
Weighted residual factors for significantly intense reflections	0.3336
Weighted residual factors for all reflections included in the refinement	0.3821
Goodness-of-fit parameter for all reflections included in the refinement	1.382
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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