Information card for entry 7710331

Structure parameters

• Formula: C28 H36 Fe2 N12 O17 W
• Calculated formula: C28 H36 Fe2 N12 O17 W
• Title of publication: Magnetic interactions controlled by light in the family of Fe(II)-M(IV) (M = Mo, W, Nb) hybrid organic-inorganic frameworks
• Authors of publication: Magott, Michał; Ceglarska, Magdalena; Rams, Michał; Sieklucka, Barbara; Pinkowicz, Dawid
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.9768 ± 0.0003 Å
• b: 20.3701 ± 0.0005 Å
• c: 15.7622 ± 0.0006 Å
• α: 90°
• β: 101.844 ± 0.001°
• γ: 90°
• Cell volume: 4077.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No