Information card for entry 7009074

Structure parameters

• Formula: C15 H23 Cl3 O Ti
• Calculated formula: C15 H23 Cl3 O Ti
• SMILES: [Ti](Cl)(Cl)(Cl)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
• Title of publication: Trichloro monophenoxide complexes of titanium(IV)
• Authors of publication: Nielson, Alastair J.; Schwerdtfeger, Peter; Waters, Joyce M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 529
• a: 17.294 ± 0.003 Å
• b: 6.122 ± 0.001 Å
• c: 17.833 ± 0.004 Å
• α: 90°
• β: 108.36 ± 0.03°
• γ: 90°
• Cell volume: 1791.9 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.0875
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No