Information card for entry 4322348

Structure parameters

• Formula: C48 H126 Mo12 N6 Ni2 O48
• Calculated formula: C48 Mo12 N6 Ni2 O48
• SMILES: [Mo]1234(N=O)[O]567[Mo]89(O[Mo]5(O[Mo]7(O[Mo]6([O]3C)(O8)(=O)=O)([O]4C)(=O)=O)([O]2C)(O[Mo]23([O](C)[Ni]45([O](C)[Mo]67([O](C)[Ni]([O]24)([O]3C)([OH]C)([OH]C)[O]56)(O[Mo]234(O[Mo]56(O[Mo]8%10(O[Mo]%11([O]458[Mo](N=O)([O]3C)([O]6C)([O]%11C)[O]%10C)(O2)(=O)=O)(=O)=O)(O7)=O)=O)N=O)([OH]C)[OH]C)(O9)N=O)=O)([O]1C)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis, Structure, and Magnetic Properties of (n-Bu4N)2[{Ni(MeOH)2}2{Mo(NO)}2(μ3-OH)2(μ-OMe)4{Mo5O13(OMe)4(NO)}2], a New Type of Polyoxometalate Incorporating a Rhomb-like Cluster
• Authors of publication: Richard Villanneau; Anna Proust; Francis Robert; Pierre Veillet; Pierre Gouzerh
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4981 - 4985
• a: 18.96 ± 0.007 Å
• b: 25.99 ± 0.015 Å
• c: 20.669 ± 0.005 Å
• α: 90°
• β: 109.58 ± 0.02°
• γ: 90°
• Cell volume: 9596 ± 7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.0942
• Goodness-of-fit parameter for significantly intense reflections: 3.1584
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No