Information card for entry 7245242

Structure parameters

• Formula: C72 H146 N2 Nb8 O40
• Calculated formula: C72 H146 N2 Nb8 O40
• Title of publication: Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker
• Authors of publication: Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.0483 ± 0.0009 Å
• b: 18.5558 ± 0.0019 Å
• c: 18.624 ± 0.002 Å
• α: 68.271 ± 0.004°
• β: 81.253 ± 0.005°
• γ: 84.084 ± 0.005°
• Cell volume: 2550.4 ± 0.5 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No