Information card for entry 4061478

Structure parameters

• Formula: C44 H60 B2 Cl2 O4 Ti
• Calculated formula: C44 H60 B2 Cl2 O4 Ti
• SMILES: [Ti](Cl)(Cl)(OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation
• Authors of publication: Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 3279 - 3289
• a: 10.3334 ± 0.0002 Å
• b: 24.8889 ± 0.0005 Å
• c: 16.5983 ± 0.0004 Å
• α: 90°
• β: 92.251 ± 0.001°
• γ: 90°
• Cell volume: 4265.57 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No