Information card for entry 4300084

Structure parameters

• Formula: C20 H33 Cl3 N2 Ti2
• Calculated formula: C20 H33 Cl3 N2 Ti2
• SMILES: [Ti]1234(Cl)(Cl)(=[N]=[Ti]5678(Cl)([NH3])[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Ammonolysis of Mono(pentamethylcyclopentadienyl) Titanium(IV) Derivatives
• Authors of publication: Angel Abarca; Pilar Gómez-Sal; Avelino Martín; Miguel Mena; Josep María Poblet; Carlos Yélamos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 642 - 651
• a: 28.272 ± 0.006 Å
• b: 8.452 ± 0.002 Å
• c: 22.26 ± 0.004 Å
• α: 90°
• β: 111.85 ± 0.03°
• γ: 90°
• Cell volume: 4937 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.0806
• Goodness-of-fit parameter for all reflections: 0.966
• Goodness-of-fit parameter for significantly intense reflections: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No