Information card for entry 7018130

Structure parameters

• Formula: C24 H33 As4 Na4 O31 V5
• Calculated formula: C24 H12 As4 Na4 O31 V5
• SMILES: c1cc(ccc1[O-])[As]1(O[V]23([O]4[V]56([O]7[V]4(O1)(O[As](=O)(c1ccc([O-])cc1)O[V]17(=O)[O]6[V]([O]25)(O[As](=O)(c2ccc([O-])cc2)O3)(=O)O[As](O1)(c1ccc(cc1)[O-])=O)=O)=O)=O)=O.[Na+].O.O.[Na+].O.O.[Na+].O.[Na+].O
• Title of publication: Self-assembly of hybrid organic-inorganic polyoxovanadates: functionalised mixed-valent clusters and molecular cages.
• Authors of publication: Breen, John M.; Clérac, Rodolphe; Zhang, Lei; Cloonan, Suzanne M.; Kennedy, Elaine; Feeney, Martin; McCabe, Thomas; Williams, D. Clive; Schmitt, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2918 - 2926
• a: 14.512 ± 0.007 Å
• b: 22.664 ± 0.012 Å
• c: 13.699 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4506 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.2863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No