Information card for entry 4348902

Structure parameters

• Formula: C42 H50 Cu8 I8 N10 S2
• Calculated formula: C42 H44 Cu8 I8 N10 S2
• SMILES: [Cu]1234[Cu]5([I]1)([N]#CC)[I]2[Cu]12[I]5[Cu]567[Cu]8([I]15)([S](CCc1[n]2[n]4n(Cc2[n]3c3ccccc3cc2)c1)C1CCCC1)[I]6[Cu]12[I]8[Cu]34([N]#CC)[Cu]5([I]13)([I]4)[n]1c3ccccc3ccc1Cn1[n]5[n]2c(c1)CC[S]7C1CCCC1
• Title of publication: Assembly of photoluminescent [CunIn] (n = 4, 6 and 8) clusters by clickable hybrid [N,S] ligands
• Authors of publication: Bai, Shi-Qiang; Jiang, Lu; Tan, Ai Lin; Yeo, Sing Chen; Young, David James; Andy Hor, T. S.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1011
• a: 9.3044 ± 0.0006 Å
• b: 12.4409 ± 0.0008 Å
• c: 26.2206 ± 0.0016 Å
• α: 103.477 ± 0.001°
• β: 95.743 ± 0.002°
• γ: 96.496 ± 0.001°
• Cell volume: 2907.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No