Information card for entry 4315081

Structure parameters

• Chemical name: Tetradecacyclopentyl-bis(silsesquioxane)tri(oxovanadium) bis pyridin-adduct
• Formula: C80 H136 N2 O27 Si14 V3
• Calculated formula: C80 H136 N2 O27 Si14 V3
• SMILES: c1[n]([V]23(=O)O[Si]4(O[Si]5(O[Si]6(O[Si]7(O[Si]([O]2[V]28(=O)[O]3[Si]3(C9CCCC9)O[Si]9(O[Si]%10(C%11CCCC%11)O[V]([n]%11ccccc%11)(=O)([O]2[Si](C2CCCC2)(O5)O7)[O]8[Si]2(O[Si](O[Si](O9)(C5CCCC5)O[Si](C5CCCC5)(O%10)O2)(C2CCCC2)O3)C2CCCC2)C2CCCC2)(C2CCCC2)O[Si](C2CCCC2)(O4)O6)C2CCCC2)C2CCCC2)C2CCCC2)C2CCCC2)cccc1
• Title of publication: Oxovanadium(IV) Silsesquioxane Complexes
• Authors of publication: Christian Ohde; Christian Limberg; Reinhard Stösser; Serhiy Demeshko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2479 - 2485
• a: 26.065 ± 0.006 Å
• b: 19.569 ± 0.005 Å
• c: 20.655 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10535 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2527
• Weighted residual factors for all reflections included in the refinement: 0.2637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No