Information card for entry 4317524

Structure parameters

• Formula: C56 H60 Cu N P2 Te7
• Calculated formula: C56 H60 Cu N P2 Te7
• SMILES: [Cu]12[Te][Te][Te][Te]1[Te][Te][Te]2.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis, Structure, and Theoretical Study of the Nonclassical [CuTe7]3- Anion
• Authors of publication: Perumal Sekar; Frederick P. Arnold; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 577 - 581
• a: 8.9507 ± 0.0018 Å
• b: 14.714 ± 0.003 Å
• c: 23.277 ± 0.005 Å
• α: 86.32 ± 0.03°
• β: 80.17 ± 0.03°
• γ: 75.63 ± 0.03°
• Cell volume: 2925.3 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No