Information card for entry 2208268

Structure parameters

• Chemical name: Di-μ-hydroxo-κ^4^O:O-bis[aquatris(triphenylsilanolato-κO)zirconium(IV)] toluene solvate
• Formula: C115 H104 O10 Si6 Zr2
• Calculated formula: C115 H104 O10 Si6 Zr2
• SMILES: c1(ccccc1)[Si](c1ccccc1)(O[Zr]1(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)([OH][Zr](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)([OH]1)[OH2])[OH2])c1ccccc1.c1(ccccc1)C
• Title of publication: Di-μ-hydroxo-κ^4^<i>O</i>:<i>O</i>-bis[aquatris(triphenylsilanolato-κ<i>O</i>)zirconium(IV)] toluene solvate
• Authors of publication: Schweder, Bernd; Walther, Dirk; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m465 - m468
• a: 14.693 ± 0.004 Å
• b: 16.324 ± 0.003 Å
• c: 24.794 ± 0.004 Å
• α: 90.08 ± 0.01°
• β: 105.32 ± 0.02°
• γ: 114.7 ± 0.02°
• Cell volume: 5168 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes