Information card for entry 7243286

Structure parameters

• Chemical name: bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate
• Formula: C34 H42 Mo10 N10 O40
• Calculated formula: C34 H42 Mo10 N10 O40
• 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: 7.9678 ± 0.0003 Å
• b: 10.7556 ± 0.0006 Å
• c: 18.9607 ± 0.0007 Å
• α: 83.396 ± 0.004°
• β: 83.567 ± 0.003°
• γ: 73.581 ± 0.004°
• Cell volume: 1542.89 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0639
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No