Information card for entry 4326597

Structure parameters

• Formula: C72 H60 Cu4 I4 P4
• Calculated formula: C72 H60 Cu4 I4 P4
• SMILES: [I]12[Cu]3([I]4[Cu]1([I]1[Cu]2([I]3[Cu]41[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Thermochromic Luminescence of Copper Iodide Clusters: The Case of Phosphine Ligands
• Authors of publication: Sandrine Perruchas; Cédric Tard; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Samia Kahlal; Jean-Yves Saillard; Thierry Gacoin; Jean-Pierre Boilot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10682 - 10692
• a: 13.441 ± 0.001 Å
• b: 26.557 ± 0.001 Å
• c: 21.81 ± 0.001 Å
• α: 90°
• β: 118.357 ± 0.002°
• γ: 90°
• Cell volume: 6851 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0645
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No