Information card for entry 4061987

Structure parameters

• Formula: C30 H40 Cl2 O2 Si Ti
• Calculated formula: C30 H40 Cl2 O2 Si Ti
• SMILES: [Ti]12345(Cl)(Cl)Oc6c(cc(cc6C(C)(C)C)C)Cc6c(O[Si]([c]73[cH]2[cH]1[cH]5[cH]47)(C)C)c(cc(c6)C)C(C)(C)C
• Title of publication: Mono-cyclopentadienyl and ansa-monocyclopentadienyl-alkoxo complexes of titanium containing the 2,2'-CH2-bis(4-methyl-6-tert-butyl-phenoxo) ligand (MBMP). Synthesis, characterization and polymerization catalyst behavior. Molecular structure of Ti(h5-C5H5)(h2-MBMP)Cl, Ti(h5-C5Me5)(h2-MBMP)Cl and Ti(h5-C5H4SiMe2-h1-MBMP)Cl2.
• Authors of publication: González-Maupoey, M.; Cuenca, T.; Frutos, L. M.; Castano, O.; Herdtweck, E.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 9.4753 ± 0.0001 Å
• b: 13.0141 ± 0.0001 Å
• c: 13.3054 ± 0.0001 Å
• α: 68.8672 ± 0.0004°
• β: 77.3656 ± 0.0004°
• γ: 75.9529 ± 0.0004°
• Cell volume: 1468.92 ± 0.02 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No