Crystallography Open Database

Information card for entry 7107403

Preview

Coordinates	7107403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 Cl4 Fe4 N4 O8
Calculated formula	C32 H48 Cl4 Fe4 N4 O8
Title of publication	Magnetic properties of a novel family of ferrous cubanes
Authors of publication	Francesco Piga; Fabrizio Moro; Itana Krivokapic; Alexander J. Blake; Ruth Edge; Eric J. L. McInnes; Fernando Luis; Marco Evangelisti; David J. Evans; Jonathan McMaster; Joris van Slageren
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2430
a	16.8291 ± 0.0006 Å
b	16.4962 ± 0.0006 Å
c	29.6189 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8222.7 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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