Information card for entry 4075430

Structure parameters

• Formula: C22 H35 N P2 Ti
• Calculated formula: C22 H35 N P2 Ti
• SMILES: [Ti]123456789%10%11([P]%12(N2C(C)(C)C)[C]3(=[P]1C4%12C(C)(C)C)C(C)(C)C)[CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%111
• Title of publication: Reactions oftBuC⋮P with Cyclooctatetraene-Supported Titanium Imido Complexes
• Authors of publication: Cloke, F. Geoffrey N.; Green, Jennifer C.; Hazari, Nilay; Hitchcock, Peter B.; Mountford, Philip; Nixon, John F.; Wilson, D. James
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3688
• a: 14.054 ± 0.006 Å
• b: 10.19 ± 0.004 Å
• c: 15.592 ± 0.002 Å
• α: 90°
• β: 93.9 ± 0.03°
• γ: 90°
• Cell volume: 2227.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.0892
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No