Information card for entry 4062545

Structure parameters

• Formula: C22 H24 Br2 O2 Ti
• Calculated formula: C22 H24 Br2 O2 Ti
• SMILES: Brc1cc(c(O[Ti]2345(Oc6c(cc(Br)cc6C)C)([cH]6[cH]2[cH]4[cH]5[cH]36)C)c(c1)C)C
• Title of publication: Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation
• Authors of publication: Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 2146 - 2156
• a: 8.2285 ± 0.0003 Å
• b: 20.9915 ± 0.0009 Å
• c: 12.7159 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.4 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No