Information card for entry 4063280

Structure parameters

• Formula: C34 H57 Al N4 Si Ti3
• Calculated formula: C34 H57 Al N4 Si Ti3
• SMILES: C([Al]12[NH]3[Ti]45678([c]9([c]7([c]8([c]4([c]59C)C)C)C)C)N4[Ti]57893([c]3([c]7([c]8([c]9([c]53C)C)C)C)C)[NH]2[Ti]23574([c]4([c]2([c]3([c]5([c]74C)C)C)C)C)N16)[Si](C)(C)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: 11.1348 ± 0.0011 Å
• b: 23.6 ± 0.003 Å
• c: 15.1156 ± 0.0014 Å
• α: 90°
• β: 101.559 ± 0.008°
• γ: 90°
• Cell volume: 3891.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0925
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No