Information card for entry 4001266

Structure parameters

• Formula: C60 H68 Cu4 I4 P4
• Calculated formula: C54 H64 Cu4 I4 P4
• SMILES: CCC[P]([Cu]12[I]3[Cu]4([I]2[Cu]2([I]1[Cu]3([I]24)[P](c1ccccc1)(c1ccccc1)CCC)[P](c1ccccc1)(c1ccccc1)CCC)[P](c1ccccc1)(c1ccccc1)CCC)(c1ccccc1)c1ccccc1
• Title of publication: Thermochromic Luminescence of Sol−Gel Films Based on Copper Iodide Clusters
• Authors of publication: Tard, Cédric; Perruchas, Sandrine; Maron, Sébastien; Le Goff, Xavier F.; Guillen, François; Garcia, Alain; Vigneron, Jacky; Etcheberry, Arnaud; Gacoin, Thierry; Boilot, Jean-Pierre
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 22
• Pages of publication: 7010
• a: 15.951 ± 0.001 Å
• b: 15.951 ± 0.001 Å
• c: 12.006 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3054.7 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No