Information card for entry 4300083

Structure parameters

• Formula: C40 H58 N2 Ti2
• Calculated formula: C40 H58 N2 Ti2
• SMILES: C[Ti]123456(N(c7c(cc(cc7C)C)C)[Ti]789%106(C)(N1c1c(cc(cc1C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]3(C)[c]2([c]5([c]41C)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: 8.684 ± 0.001 Å
• b: 11.074 ± 0.001 Å
• c: 11.174 ± 0.001 Å
• α: 66.11 ± 0.01°
• β: 71.44 ± 0.01°
• γ: 87.92 ± 0.01°
• Cell volume: 926.07 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No