Information card for entry 4324229

Structure parameters

• Formula: C24 H20 As4 Mo4 N8 O36
• Calculated formula: C24 H20 As4 Mo4 N8 O36
• SMILES: c1(ccc(c(c1)N(=O)=O)O)[As]12[O]3[Mo]45(O[Mo]63(=O)(=O)O[As](O[Mo]3(O[Mo]([O]3[As](c3ccc(c(c3)N(=O)=O)O)(=[O]6)O5)(O[As](=[O]4)(c3cc(N(=O)=O)c(cc3)O)=O)([O]=1)(=O)=O)(=O)(=O)O2)(c1cc(N(=O)=O)c(cc1)O)=O)(=O)=O.[NH4+].[NH4+].O.[NH4+].[NH4+].O
• Title of publication: Self-Assembly of Hybrid Organic-Inorganic Polyoxomolybdates: Solid-State Structures and Investigation of Formation and Core Rearrangements in Solution
• Authors of publication: Camelia I. Onet; Lei Zhang; Rodolphe Clérac; J. Bernard Jean-Denis; Martin Feeney; Thomas McCabe; Wolfgang Schmitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 604 - 613
• a: 10.7255 ± 0.0019 Å
• b: 10.937 ± 0.003 Å
• c: 12 ± 0.003 Å
• α: 89.474 ± 0.013°
• β: 66.129 ± 0.01°
• γ: 63.926 ± 0.007°
• Cell volume: 1131.6 ± 0.5 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No