Crystallography Open Database

Information card for entry 7211124

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Coordinates	7211124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 Co N O5
Calculated formula	C13 H9 Co 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	20.4094 ± 0.0013 Å
b	9.1206 ± 0.0005 Å
c	7.1342 ± 0.0004 Å
α	90°
β	109.377 ± 0.005°
γ	90°
Cell volume	1252.78 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.1964
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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