Information card for entry 7046575

Structure parameters

• Formula: C30 H40 Ti2
• Calculated formula: C30 H40 Ti2
• Title of publication: Hydrogenation of titanocene and zirconocene bis(trimethylsilyl)acetylene complexes.
• Authors of publication: Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Žilková, NaděŽda; Mach, Karel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 8921 - 8932
• a: 19.4349 ± 0.0005 Å
• b: 9.0565 ± 0.0002 Å
• c: 14.4674 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2546.44 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No