Information card for entry 2008453

Structure parameters

• Formula: C18 H14 Cl2 O Ti
• Calculated formula: C18 H14 Cl2 O Ti
• SMILES: [Ti](Cl)(Cl)([cH]12)([cH]13)([cH]21)([cH]12)([c]123)Oc3ccccc3C1c3ccccc3
• Title of publication: Dichloro{2-[(η^5^-cyclopentadienyl)phenylmethyl]phenolato-<i>O</i>}titanium
• Authors of publication: Bu, Weiming; Wang, Jianhui; Ye, Ling; Mu, Ying; Yang, Guangdi; Fan, Yuguo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 728 - 730
• a: 7.1325 ± 0.0006 Å
• b: 9.7959 ± 0.0008 Å
• c: 12.3235 ± 0.0008 Å
• α: 74.082 ± 0.006°
• β: 81.086 ± 0.006°
• γ: 86.242 ± 0.007°
• Cell volume: 817.78 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.0615
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No