Information card for entry 7219413

Structure parameters

• Formula: H36 Mo6 Nd2 O44 V2
• Calculated formula: Mo6 Nd2 O44 V2
• SMILES: [O]=1[Nd]23([O]=[Mo]456(O[Mo]78(O[Mo]9%101([O]148[V]48%11(O7)[O]9[Mo]79%12(O[Mo]%13%14%15(O[Mo]%16(=[O][Nd]([O]=7)([O]=4)([O]=%15)([OH2])([OH2])([OH2])([OH2])[OH2])([O]5[V]1(=[O]2)(O%13)([O]89%14%16)[O]%10%12)(=O)[O]6%11)=O)=O)=O)(=O)[O]=3)=O)([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: Lanthanide-supported molybdenum‒vanadium oxide clusters: syntheses, structures and catalytic properties
• Authors of publication: Fei, Fei; An, Haiyan; Meng, Changgong; Wang, Lin; Wang, Huilong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.038 ± 0.005 Å
• b: 10.049 ± 0.006 Å
• c: 10.118 ± 0.006 Å
• α: 106.967 ± 0.008°
• β: 101.48 ± 0.009°
• γ: 91.502 ± 0.008°
• Cell volume: 952.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No