Information card for entry 4345304

Structure parameters

• Formula: C16 H24 Cl2 O4 Ti2
• Calculated formula: C16 H24 Cl2 O4 Ti2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ti]162345(Cl)[O](CC[O]1C)[Ti]12345([cH]7[cH]4[cH]3[cH]2[cH]17)(Cl)[O]6CC[O]5C
• Title of publication: Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds
• Authors of publication: Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 8.6249 ± 0.0019 Å
• b: 7.1156 ± 0.0018 Å
• c: 15.685 ± 0.005 Å
• α: 90°
• β: 101.98 ± 0.04°
• γ: 90°
• Cell volume: 941.6 ± 0.5 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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 all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No