Information card for entry 4061482

Structure parameters

• Formula: C28 H32 B Cl O Ti
• Calculated formula: C28 H32 B Cl O Ti
• SMILES: [Ti]12345678(Cl)(OB(c9c(cc(cc9C)C)C)c9c(cc(cc9C)C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 8.2133 ± 0.0003 Å
• b: 24.4108 ± 0.0009 Å
• c: 12.7151 ± 0.0006 Å
• α: 90°
• β: 92.471 ± 0.002°
• γ: 90°
• Cell volume: 2546.92 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No