Information card for entry 7003256

Structure parameters

• Formula: C62 H92 O14 P Si8 V
• Calculated formula: C62 H92 O14 P Si8 V
• SMILES: C1(CCCC1)[Si]12O[V](=O)(=O)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si]1(C4CCCC4)O[Si](C4CCCC4)(O3)O[Si](C3CCCC3)(O[Si](C3CCCC3)(O2)O1)O[Si](C)(C)C.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.2305 ± 0.0008 Å
• b: 13.1509 ± 0.0009 Å
• c: 22.7799 ± 0.0017 Å
• α: 91.236 ± 0.006°
• β: 96.081 ± 0.006°
• γ: 110.382 ± 0.005°
• Cell volume: 3408.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1093
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No