Information card for entry 7052282

Structure parameters

• Formula: C60 H90 Cu N8 S4
• Calculated formula: C60 H90 Cu N8 S4
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.N#CC.[Cu]12(SC(=C3c4cccnc4c4c3cccn4)S1)SC(=C1c3cccnc3c3c1cccn3)S2.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
• Title of publication: Octanuclear Cu(<small>I</small>) cubic complex decorated with six peripheral chelates
• Authors of publication: Stéphane A. Baudron; Mir Wais Hosseini; Nathalie Kyritsakas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1083
• a: 18.6672 ± 0.0007 Å
• b: 8.7381 ± 0.0003 Å
• c: 18.9133 ± 0.0007 Å
• α: 90°
• β: 101.396 ± 0.002°
• γ: 90°
• Cell volume: 3024.24 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.104
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No