Information card for entry 7045249

Structure parameters

• Formula: C26 H48 F N O16 V4
• Calculated formula: C26 H48 F N O16 V4
• SMILES: [V]1234([F]56[V]78(O1)([O]=C(O3)CCCC1=[O][V]35(O7)([O]=C(O8)CCCC(=[O]4)O[V]6(O2)(O3)(O1)=O)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Halide encapsulation by dicarboxylate oxido-vanadium cage complexes.
• Authors of publication: Gómez, Margarita; Pastor, Antonio; Álvarez, Eleuterio; Olloqui-Sariego, José Luis; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2183 - 2191
• a: 23.418 ± 0.012 Å
• b: 13.297 ± 0.008 Å
• c: 23.133 ± 0.013 Å
• α: 90°
• β: 90.199 ± 0.013°
• γ: 90°
• Cell volume: 7203 ± 7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No