Information card for entry 4086893

Structure parameters

• Formula: C67 H106 N2 Si4 Ti2
• Calculated formula: C67 H106 N2 Si4 Ti2
• SMILES: [c]12([cH]3[cH]4[c]567[c]891[cH]1[cH]%10[c]5([Si](C(C)C)(C(C)C)C(C)C)[Ti]5%11%12%13%14%15%16691%10[Ti]169%10%1723478([cH]2[c]1([Si](C(C)C)(C(C)C)C(C)C)[c]16%16[cH]%11[cH]%12[c]5([c]%131%17[cH]2%10)[Si](C(C)C)(C(C)C)C(C)C)[N](=[C]9%15N%14c1ccc(cc1)C)c1ccc(cc1)C)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Reactivity of a Dititanium Bis(pentalene) Complex toward Heteroallenes and Main-Group Element‒Element Bonds
• Authors of publication: Kilpatrick, Alexander F. R.; Green, Jennifer C.; Cloke, F. Geoffrey N.
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 25.872 ± 0.005 Å
• b: 15.032 ± 0.003 Å
• c: 19.626 ± 0.004 Å
• α: 90°
• β: 121.3 ± 0.03°
• γ: 90°
• Cell volume: 6522 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No