Information card for entry 4086035

Structure parameters

• Formula: C79 H99 B F20 Si4 Ti2
• Calculated formula: C79 H99 B F20 Si4 Ti2
• Title of publication: Bonding in Complexes of Bis(pentalene)dititanium, Ti2(C8H6)2.
• Authors of publication: Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F Geoffrey N
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4830 - 4843
• a: 14.217 ± 0.003 Å
• b: 15.491 ± 0.003 Å
• c: 19.366 ± 0.004 Å
• α: 89.3 ± 0.03°
• β: 88.71 ± 0.03°
• γ: 67.67 ± 0.03°
• Cell volume: 3944.2 ± 1.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0793
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No