Information card for entry 4068548

Structure parameters

• Formula: C50 H152 O6 Si26 Zr
• Calculated formula: C50 H152 O6 Si26 Zr
• Title of publication: Synthesis and Structures of Titanium and Zirconium Trisiloxides
• Authors of publication: Krempner, Clemens; Jäger-Fiedler, Ulrike; Köckerling, Martin; Reinke, Helmut
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 382
• a: 14.6636 ± 0.0007 Å
• b: 26.479 ± 0.002 Å
• c: 14.9466 ± 0.0007 Å
• α: 90°
• β: 115.082 ± 0.002°
• γ: 90°
• Cell volume: 5256.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1056
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No