Information card for entry 4327883

Structure parameters

• Formula: C58 H48 As10 Cl2 N10 Na0 O60 V14
• Calculated formula: C58 H48 As10 Cl2 N10 O60 V14
• SMILES: c1(ccc(cc1)N)[As]12=[O][V]34(=O)O[V]5(O3)(=O)O[V]3(=O)(O5)[O]=[As]5(c6ccc(N)cc6)O[V]67([O]8[V]9([O]%10[V]%11([O]%12[V]%13([O]6[As]8%10%12c6ccc(N)cc6)(=O)O[As](=[O][V]68(O[V]%10(=O)(O[V]([O]=[As]%12(c%14ccc(N)cc%14)O[V]%14%15([O]%16[V]([O]%17[V]%18([O]%19[As]%16%17(c%16ccc(cc%16)N)[O]%14[V]%19(=O)([O]=[As]([O]%18)(c%14ccc(N)cc%14)O3)[O]=[As](c3ccc(N)cc3)(O8)O%15)(=O)O2)(=O)(O1)O%12)=O)(=O)(O%10)O[As](=[O]%11)(c1ccc(N)cc1)O%13)O6)=O)(c1ccc(cc1)N)O7)(=O)[O]=[As](c1ccc(N)cc1)(O4)O9)(=O)O5)=O.[Cl-].O.O.O.O.[Cl-].O.O
• Title of publication: Hybrid Polyoxovanadates: Anion-Influenced Formation of Nanoscopic Cages and Supramolecular Assemblies of Asymmetric Clusters
• Authors of publication: John M. Breen; Lei Zhang; Raphaèle Clement; Wolfgang Schmitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 19 - 21
• a: 15.6447 ± 0.0012 Å
• b: 16.3423 ± 0.0013 Å
• c: 17.6625 ± 0.0014 Å
• α: 78.33 ± 0.002°
• β: 67.724 ± 0.002°
• γ: 69.945 ± 0.002°
• Cell volume: 3911.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No