Information card for entry 1548214

Structure parameters

• Formula: C45 H68 Al N7 Te
• Calculated formula: C45 H68 Al N7 Te
• SMILES: [Te]=[Al](N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(=C1N(C(=C(N1CC)C)C)CC)=C1N(C(=C(N1CC)C)C)CC
• Title of publication: A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes
• Authors of publication: Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 10037
• a: 12.2033 ± 0.0004 Å
• b: 19.649 ± 0.0007 Å
• c: 19.497 ± 0.0006 Å
• α: 90°
• β: 95.069 ± 0.003°
• γ: 90°
• Cell volume: 4656.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No