Information card for entry 7243289

Structure parameters

• Chemical name: bis((aquo)-dioxo-(N-(2-oxy-4-methoxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate
• Formula: C36 H40 Mo8 N10 O31
• Calculated formula: C36 H40 Mo8 N10 O31
• 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: 10.8617 ± 0.0004 Å
• b: 10.9074 ± 0.0004 Å
• c: 13.8765 ± 0.0006 Å
• α: 97.652 ± 0.003°
• β: 107.915 ± 0.003°
• γ: 114.577 ± 0.004°
• Cell volume: 1356.26 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No