Crystallography Open Database

Information card for entry 4516647

Preview

Coordinates	4516647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H24 Br6 Fe2 N6 O26
Calculated formula	C54 H24 Br6 Fe2 N6 O26
Title of publication	Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.
Authors of publication	Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	31
Pages of publication	26210 - 26218
a	13.7841 ± 0.0003 Å
b	13.7841 ± 0.0003 Å
c	9.2424 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1520.8 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	162
Hermann-Mauguin space group symbol	P -3 1 m
Hall space group symbol	-P 3 2
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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