Information card for entry 4086897

Structure parameters

• Formula: C64 H102 Si4 Te2 Ti2
• Calculated formula: C64 H102 Si4 Te2 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%14791%10([c]1([cH]5[cH]%11[c]57%12[c]9%131[cH]1[cH]%10[c]5([Si](C(C)C)(C(C)C)C(C)C)[Ti]23468%14791%10[Te]c1ccccc1)[Si](C(C)C)(C(C)C)C(C)C)[Te]c1ccccc1)[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: 18.1208 ± 0.0003 Å
• b: 16.1056 ± 0.0003 Å
• c: 25.6467 ± 0.0005 Å
• α: 90°
• β: 101.708 ± 0.002°
• γ: 90°
• Cell volume: 7329.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No