Information card for entry 7243287

Structure parameters

• Chemical name: bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate
• Formula: C56 H74 Mo12 N14 O60
• Calculated formula: C56 H74 Mo12 N14 O60
• Title of publication: Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study
• Authors of publication: Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 36
• Pages of publication: 6349 - 6358
• a: 9.4085 ± 0.0004 Å
• b: 16.2433 ± 0.0005 Å
• c: 17.3878 ± 0.0004 Å
• α: 116.276 ± 0.003°
• β: 95.232 ± 0.003°
• γ: 93.035 ± 0.003°
• Cell volume: 2359.8 ± 0.15 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 170.15 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: 0.0536
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No