Crystallography Open Database

Information card for entry 4316280

Preview

Coordinates	4316280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 1
Formula	C32 H40 Co2 N24 Nb O4
Calculated formula	C32 H40 Co2 N24 Nb O4
Title of publication	Nature of Magnetic Interactions in 3D {[MII(pyrazole)4]2[NbIV(CN)8].4H2O}n (M = Mn, Fe, Co, Ni) Molecular Magnets
Authors of publication	Dawid Pinkowicz; Robert Pełka; Olga Drath; Wojciech Nitek; Maria Bałanda; Anna Małgorzata Majcher; Giordano Poneti; Barbara Sieklucka
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7565 - 7576
a	21.592 ± 0.0004 Å
b	21.592 ± 0.0004 Å
c	9.612 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4481.25 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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