Information card for entry 4061985

Structure parameters

• Formula: C28 H35 Cl O2 Ti
• Calculated formula: C28 H35 Cl O2 Ti
• SMILES: [Ti]12345(Cl)(Oc6c(cc(cc6C(C)(C)C)C)Cc6c(O1)c(cc(c6)C)C(C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 9.5862 ± 0.0001 Å
• b: 10.5852 ± 0.0001 Å
• c: 14.0202 ± 0.0002 Å
• α: 107.748 ± 0.0005°
• β: 91.8804 ± 0.0006°
• γ: 106.044 ± 0.0005°
• Cell volume: 1291.48 ± 0.03 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 5
• 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