Information card for entry 4106440

Structure parameters

• Formula: C60 H47 As10 Cl2 O62 V16
• Calculated formula: C60 H47 As10 Cl2 O62 V16
• SMILES: [As]12(=[O][V]34(O[As]5(=[O][V]67(O[As]8(=[O][V]9%10(O[As]([O]%11[V]%12%13%14(O[V]%15%11([O]%11[As]%16(=[O][V]%17%18([O]=[As]%19([O]%20[V]%21%22(O[V]%23([O]5%21)([O]5[As]%21(=[O][V]%24%25([O]%26=[As]%27([O]%17[V]%26(=O)(O%19)O%21)([O]%25[V]([O]=[As]([O]%12[V]%12%17(O[V]5([O]8%12)(O%17)(O%23)=O)(=O)O%14)(O%24)c5ccccc5)(O%16)(=O)[O]%18%27)c5ccccc5)=O)c5ccccc5)(=O)O%22)(=O)O[V]58%20(O[V]%11([O]25)(=O)(O%15)O8)=O)c2ccccc2)=O)c2ccccc2)(=O)O%13)=O)(=[O][V]2(O1)(=O)[O]9=[As]([O]36)([O]7%10)([O]42)c1ccccc1)c1ccccc1)=O)c1ccccc1)=O)c1ccccc1)=O)c1ccccc1.[Cl-].[Cl-].O.O
• Title of publication: From Platonic Templates to Archimedean Solids: Successive Construction of Nanoscopic {V16As8}, {V16As10}, {V20As8}, and {V24As8} Polyoxovanadate Cages
• Authors of publication: Lei Zhang; Wolfgang Schmitt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11240 - 11248
• a: 14.081 ± 0.003 Å
• b: 17.115 ± 0.003 Å
• c: 29.922 ± 0.006 Å
• α: 88.9 ± 0.03°
• β: 85.19 ± 0.03°
• γ: 65.84 ± 0.03°
• Cell volume: 6555 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.158
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No