Information card for entry 8101419

Structure parameters

• Formula: C34 H41 Cl O Ti
• Calculated formula: C34 H41 Cl O Ti
• SMILES: [Ti]12345678(Cl)(OC(=C(c9c(cc(cc9C)C)C)c9c(cc(cc9C)C)C)C(C)(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: Crystal structure of chloro-di-η^5^-cyclopentadienyl-[1,1-dimesityl- 3,3-dimethyl-1-buten-2-oxy]titan(IV), C~34~H~41~ClOTi
• Authors of publication: Werner, Helmut; Schmittel, Michael
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 11.771 ± 0.009 Å
• b: 18.684 ± 0.006 Å
• c: 13.97 ± 0.01 Å
• α: 90°
• β: 103.9 ± 0.04°
• γ: 90°
• Cell volume: 2981.7 ± 3.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1067
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No