Information card for entry 4063281

Structure parameters

• Formula: C38 H59 Al Cl2 N4 Ti3
• Calculated formula: C38 H59 Al Cl2 N4 Ti3
• SMILES: C[Al]([NH]1[Ti]2345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)C)N2[Ti]3459%107([c]7([c]3([c]4([c]5([c]97C)C)C)C)C)(N6)N[Ti]3456182%10[c]1([c]3([c]4([c]5([c]61C)C)C)C)C)(Cl)Cl.c1(ccccc1)C
• Title of publication: Group 13 and 14 Alkyl Derivatives of the Imido-Nitrido Metalloligand [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)]
• Authors of publication: María García-Castro; Avelino Martín; Miguel Mena; Carlos Yélamos
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 408 - 416
• a: 18.467 ± 0.005 Å
• b: 11.32 ± 0.005 Å
• c: 20.25 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.73 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4112 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No