Information card for entry 4068484

Structure parameters

• Common name: SHORE1169
• Formula: C13 H21 Cl2 O2 Ti
• Calculated formula: C13 H21 Cl2 O2 Ti
• Title of publication: β-Agostic Interactions in 15-Valence-Electron 9-BBN Hydroborate Half-Sandwich Titanium(III) Complexes
• Authors of publication: Hamilton, Ewan J. M.; Park, Jung Su; Chen, Xuenian; Liu, Shengming; Sturgeon, Matthew R.; Meyers, Edward A.; Shore, Sheldon G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 3973
• a: 11.048 ± 0.002 Å
• b: 11.835 ± 0.002 Å
• c: 11.939 ± 0.002 Å
• α: 84.31 ± 0.03°
• β: 89.46 ± 0.03°
• γ: 75.44 ± 0.03°
• Cell volume: 1503.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No