Information card for entry 4082639

Structure parameters

• Formula: C26 H44 Cl Sn2 Ti
• Calculated formula: C26 H44 Cl Sn2 Ti
• Title of publication: Synthesis and Structure of Group IV Distanna[2]metallocenophanes
• Authors of publication: Arnold, Thomas; Braunschweig, Holger; Damme, Alexander; Krummenacher, Ivo; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 254
• a: 15.8712 ± 0.0011 Å
• b: 11.8195 ± 0.0008 Å
• c: 15.9744 ± 0.0011 Å
• α: 90°
• β: 107.472 ± 0.002°
• γ: 90°
• Cell volume: 2858.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0209
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No