Crystallography Open Database

Information card for entry 7234560

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Coordinates	7234560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 Fe2 N O12
Calculated formula	C9.9996 H17.9994 Fe2 N0.9999 O12
Title of publication	Structural, magnetic and dielectric properties of two novel mixed-valence iron(ii)-iron(iii) metal formate frameworks
Authors of publication	Miroslaw Maczka; Aneta Ciupa; Anna Gagor; Adam Sieradzki; Adam Pikul; Maciej Ptak
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	1186 - 1193
a	8.4483 ± 0.0002 Å
b	8.4483 ± 0.0002 Å
c	13.7058 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	847.18 ± 0.04 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	260 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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