Crystallography Open Database

Information card for entry 7107084

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Coordinates	7107084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Fe N4 O2
Calculated formula	C24 H18 Fe N4 O2
Title of publication	Isomeric Fe(II) MOFs: from a diamond-framework spin-crossover material to a 2D hard magnet
Authors of publication	Lihong Li; Guy J. Clarkson; David J. Evans; Martin R. Lees; Scott S. Turner; Peter Scott
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	12646
a	9.9499 ± 0.0006 Å
b	11.0634 ± 0.0005 Å
c	19.3835 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2133.73 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1027
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.1936
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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