Crystallography Open Database

Information card for entry 7211126

Preview

Coordinates	7211126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Co0.35 Mn0.65 N O5
Calculated formula	C13 H9 Co0.35 Mn0.65 N O5
Title of publication	M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand
Authors of publication	Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9679
a	19.4519 ± 0.0009 Å
b	7.3237 ± 0.0004 Å
c	9.326 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1328.58 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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