Information card for entry 4343197

Structure parameters

• Formula: C89.5 H80 Cu4 I4 P4
• Calculated formula: C86 H76 Cu4 I4 P4
• SMILES: [I]12[Cu]3456([I]7[Cu]8914([I]1[Cu]4258([I]3[Cu]67914[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccccc1.c1cc(ccc1)C
• Title of publication: Geometry flexibility of copper iodide clusters: variability in luminescence thermochromism.
• Authors of publication: Benito, Quentin; Goff, Xavier F Le; Nocton, Gregory; Fargues, Alexandre; Garcia, Alain; Berhault, Aurélie; Kahlal, Samia; Saillard, Jean-Yves; Martineau, Charlotte; Trébosc, Julien; Gacoin, Thierry; Boilot, Jean-Pierre; Perruchas, Sandrine
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4483 - 4494
• a: 14.9144 ± 0.0002 Å
• b: 12.4522 ± 0.0001 Å
• c: 43.8122 ± 0.0004 Å
• α: 90°
• β: 92.55°
• γ: 90°
• Cell volume: 8128.62 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No