Crystallography Open Database

Information card for entry 7125569

Preview

Coordinates	7125569.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MIL-62
Formula	C2.5 H0.5 Fe0.5 O2
Calculated formula	C2.5 H0.5 Fe0.5 O2
Title of publication	[Fe2(C10O8H2)]: an antiferromagnetic 3D iron(II) carboxylate built from ferromagnetic edge-sharing octahedral chains (MIL-62).
Authors of publication	Sanselme, M.; Grenèche, J M; Riou-Cavellec, M; Férey, G
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2002
Journal issue	18
Pages of publication	2172 - 2173
a	6.2378 ± 0.0007 Å
b	17.589 ± 0.002 Å
c	4.6039 ± 0.0005 Å
α	90°
β	115.863 ± 0.002°
γ	90°
Cell volume	454.53 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for all reflections	0.0804
Weighted residual factors for significantly intense reflections	0.0768
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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