Information card for entry 4305735

Structure parameters

• Formula: C32 H38 F N2 O18 P5 V4
• Calculated formula: C32 H38 F N2 O18 P5 V4
• SMILES: CP12=[O][V]34(O[V]5(O1)(OP1(C)=[O][V]6(O[V](O1)(O2)(=O)[O]=P(C)(O6)O4)(=O)OP(C)(=[O]5)O3)=O)=O.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].N#CC.N#CC
• Title of publication: New Directions in the Preparation and Redox Chemistry of Fluoride-Templated Tetranuclear Vanadium Phosphonate Cage Compounds, Mn+[(V2O3)2(RPO3)4@F]n
• Authors of publication: Jabor K. Jabor; Reinhard Stösser; Michael Feist; Petra Neubauer; Manfred Meisel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9293 - 9302
• a: 16.1308 ± 0.0012 Å
• b: 7.9238 ± 0.0006 Å
• c: 17.2634 ± 0.0017 Å
• α: 90°
• β: 94.236 ± 0.007°
• γ: 90°
• Cell volume: 2200.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No