Information card for entry 4316279

Structure parameters

• Formula: C32 H40 Fe2 N24 Nb O4
• Calculated formula: C32 H40 Fe2 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: 21.659 ± 0.005 Å
• b: 21.659 ± 0.005 Å
• c: 9.618 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4512 ± 3 ų
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No