Information card for entry 7243288

Structure parameters

• Chemical name: bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate
• Formula: C38 H38 Mo8 N12 O29
• Calculated formula: C38 H38 Mo8 N12 O29
• 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: 9.3622 ± 0.0007 Å
• b: 10.7026 ± 0.0009 Å
• c: 15.853 ± 0.001 Å
• α: 106.074 ± 0.006°
• β: 92.475 ± 0.006°
• γ: 107.934 ± 0.007°
• Cell volume: 1437.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1813
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No