Information card for entry 4070079

Structure parameters

• Formula: C21 H40 Al2 N3 Tm
• Calculated formula: C21 H40 Al2 N3 Tm
• SMILES: [Tm]123456789%10([N]%11([Al](C)(C)[NH]%10[Al]([N]%101[C]6(=[C]7([C]8(=[C]9%10C)C)C)C)(C)C)[C]2(=[C]3([C]4(=[C]5%11C)C)C)C)C
• Title of publication: Unusual Reactivity of a Tm-Pyrrolide/Aluminate Complex with a Metallocene-Type Structural Motif
• Authors of publication: Korobkov, Ilia; Gambarotta, Sandro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5560
• a: 9.093 ± 0.002 Å
• b: 10.055 ± 0.002 Å
• c: 15.735 ± 0.004 Å
• α: 80.375 ± 0.003°
• β: 86.912 ± 0.003°
• γ: 63.563 ± 0.002°
• Cell volume: 1269.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No