Information card for entry 1548213

Structure parameters

• Formula: C54 H72 Al2 N6 Te2
• Calculated formula: C54 H72 Al2 N6 Te2
• SMILES: [Te]1[Te][Al]23[Al]1([N]2=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N]3=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 12.4329 ± 0.0002 Å
• b: 22.915 ± 0.0004 Å
• c: 19.419 ± 0.0005 Å
• α: 90°
• β: 92.861 ± 0.002°
• γ: 90°
• Cell volume: 5525.58 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1839
• Residual factor for significantly intense reflections: 0.1777
• Weighted residual factors for significantly intense reflections: 0.4134
• Weighted residual factors for all reflections included in the refinement: 0.4164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No