Information card for entry 7206476

Structure parameters

• Formula: C60 H132 Cu6 I9 N3
• Calculated formula: C60 H132 Cu6 I9 N3
• SMILES: [I]12345[Cu]6789%10[I]%11[Cu]%12%1339([I][Cu]4%10%11%13[I]7)[I][Cu]341%12[I][Cu]1754[I][Cu]287([I]6)[I]31.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC
• Title of publication: Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems
• Authors of publication: Jalilian, Ehsan; Lidin, Sven
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5730
• a: 12.5384 ± 0.0001 Å
• b: 24.4794 ± 0.0004 Å
• c: 14.7686 ± 0.0002 Å
• α: 90°
• β: 110.433 ± 0.0015°
• γ: 90°
• Cell volume: 4247.76 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for significantly intense reflections: 0.74
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No