Information card for entry 4063282

Structure parameters

• Formula: C33 H56 N4 Sn Ti3
• Calculated formula: C33 H56 N4 Sn Ti3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]16782345N2[Ti]3459%107([c]7([c]9([c]5([c]4([c]37C)C)C)C)C)(N1)N[Ti]134582%10([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)N6[Sn](C)(C)C)C)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: 11.512 ± 0.0009 Å
• b: 12.0957 ± 0.0008 Å
• c: 13.315 ± 0.0017 Å
• α: 95.601 ± 0.009°
• β: 100.525 ± 0.008°
• γ: 98.434 ± 0.007°
• Cell volume: 1788.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No