Information card for entry 7003254

Structure parameters

• Formula: C102 H166 O32 Si18 V2
• Calculated formula: C102 H166 O32 Si18 V2
• SMILES: [V]1(O[Si]2(O[Si@]3(C4CCCC4)O[Si@]4(C5CCCC5)O[Si](O[Si@@]5(C6CCCC6)O[Si](O4)(C4CCCC4)O[Si](C4CCCC4)(O3)O[Si@@](O2)(O5)C2CCCC2)(O[Si](c2ccccc2)(c2ccccc2)C)C2CCCC2)O[V](=O)(O[Si]2(O1)O[Si@@]1(C3CCCC3)O[Si@@]3(C4CCCC4)O[Si](O[Si@]4(C5CCCC5)O[Si](O3)(C3CCCC3)O[Si](C3CCCC3)(O1)O[Si@](C1CCCC1)(O2)O4)(C1CCCC1)O[Si](c1ccccc1)(c1ccccc1)C)OC(C)C)(OC(C)C)=O
• Title of publication: V2O5/SiO2 surface inspired, silsesquioxane-derived oxovanadium complexes and their properties
• Authors of publication: Ohde, Christian; Brandt, Marcus; Limberg, Christian; Döbler, Jens; Ziemer, Burckhard; Sauer, Joachim
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 326
• a: 13.076 ± 0.004 Å
• b: 14.748 ± 0.003 Å
• c: 18.54 ± 0.005 Å
• α: 77.43 ± 0.03°
• β: 77.9 ± 0.03°
• γ: 67.34 ± 0.03°
• Cell volume: 3188.7 ± 1.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.174
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No