Information card for entry 4063331

Structure parameters

• Formula: C14 H16 Ge Ti
• Calculated formula: C14 H16 Ge Ti
• SMILES: C123[CH]4=[CH]5[CH]6=[CH]7[Ti]89%10%11%122456([c]2([Ge]1(C)C)[cH]9[cH]%11[cH]%12[cH]%102)[CH]3=[CH]78
• Title of publication: Synthesis and Reactivity of Silicon- and Germanium-Bridged ansa-Cycloheptatrienyl-Cyclopentadienyl Titanium Complexes
• Authors of publication: Matthias Tamm; Andreas Kunst; Thomas Bannenberg; Sören Randoll; Peter G. Jones
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 417 - 424
• a: 7.4995 ± 0.0006 Å
• b: 11.8983 ± 0.001 Å
• c: 13.9878 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1248.15 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No