Information card for entry 7104738

Structure parameters

• Formula: C79 H167 K2 O12 Si16 Ti2
• Calculated formula: C79 H167 K2 O12 Si16 Ti2
• Title of publication: Oligosilylated group 4 titanocenes in the oxidation state +3.
• Authors of publication: Zirngast, Michaela; Flörke, Ulrich; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5538 - 5540
• a: 13.606 ± 0.003 Å
• b: 19.608 ± 0.004 Å
• c: 21.586 ± 0.004 Å
• α: 74.4 ± 0.03°
• β: 79.95 ± 0.03°
• γ: 89.22 ± 0.03°
• Cell volume: 5458 ± 1.9 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: 0.1198
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No