Information card for entry 4061483

Structure parameters

• Common name: [B(CH2Ph){OB(mes)2}3].pentane
• Formula: C66 H85 B3 O3 Ti
• Calculated formula: C66 H85 B3 O3 Ti
• SMILES: [Ti](OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(OB(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cc1ccccc1.CCCCC
• 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: 14.0992 ± 0.0007 Å
• b: 14.595 ± 0.0007 Å
• c: 17.1898 ± 0.0009 Å
• α: 93.847 ± 0.002°
• β: 95.609 ± 0.002°
• γ: 118.391 ± 0.002°
• Cell volume: 3070.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: Yes
• Has Fobs: No