Information card for entry 7110699

Structure parameters

• Formula: C35 H57 Si3 Ti
• Calculated formula: C35 H57 Si3 Ti
• Title of publication: Unusual formation of a hex-3-ene-1,5-diyne-3-yl ligand from a buta-1,3-diyne in the Cp*2TiCl2‒Mg system
• Authors of publication: Pellny, Paul-Michael; Kirchbauer, Frank G.; Burlakov, Vladimir V.; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2505
• a: 10.034 ± 0.002 Å
• b: 11.487 ± 0.002 Å
• c: 16.326 ± 0.003 Å
• α: 98.92 ± 0.03°
• β: 92.62 ± 0.03°
• γ: 90.55 ± 0.03°
• Cell volume: 1856.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections: 0.1605
• Weighted residual factors for significantly intense reflections: 0.1522
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No