Crystallography Open Database

Information card for entry 7107083

Preview

Coordinates	7107083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H22.5 Fe N4 O3.75
Calculated formula	C24.5 H18 Fe N4 O3.75
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	19.3307 ± 0.0002 Å
b	19.3307 ± 0.0002 Å
c	27.7612 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10373.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7107083.html