Crystallography Open Database

Information card for entry 4316281

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Coordinates	4316281.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C32 H40 N24 Nb Ni2 O4
Calculated formula	C32 H40 N24 Nb Ni2 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	21.434 ± 0.0004 Å
b	21.434 ± 0.0004 Å
c	9.641 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4429.23 ± 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	0.0562
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	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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