Information card for entry 7107161

Structure parameters

• Formula: C20 H33 Ag3 N10 O28 V10
• Calculated formula: C20 H30 Ag3 N10 O28 V10
• SMILES: [V]1234(O[V]56789[V]%10%11%12(O6)([O]6%13%148[V]8%15%16%17O[V]%18%13(O[V]%13%196([V]6([O]8%13)([O]837%16[V](O1)(O%15)(=O)(O[V]18(=O)([O]5[V]%14(=O)([O]%11[Ag]([N]#CC)([N]#CC)[N]#CC)(O%18)[O]%171)O2)O6)(=O)(O4)[O]9%19)(=O)O%12)(O%10)=O)=O)=O.[Ag]([N]#CC)([N]#CC)[N]#CC.[Ag]([N]#CC)([N]#CC)[N]#CC.N#CC
• Title of publication: An unprecedented silver-decavanadate dimer investigated using ion-mobility mass spectrometry
• Authors of publication: Thomas McGlone; Johannes Thiel; Carsten Streb; De-Liang Long; Leroy Cronin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 359
• a: 12.7703 ± 0.0004 Å
• b: 13.5522 ± 0.0004 Å
• c: 15.8528 ± 0.0006 Å
• α: 74.74 ± 0.003°
• β: 83.585 ± 0.003°
• γ: 68.634 ± 0.003°
• Cell volume: 2464.55 ± 0.15 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: 0.0365
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No