Information card for entry 4327944

Structure parameters

• Formula: C72 H96 Cu4 I4 O14 P4 Si4
• Calculated formula: C72 H96 Cu4 I4 O14 P4 Si4
• SMILES: [I]12[Cu]34567[I]8[Cu]9%1014([P](CC[Si](O[Si](O)(CC[P]3(c1ccccc1)c1ccccc1)O)(O)O)(c1ccccc1)c1ccccc1)[I]1[Cu]34689[I]5[Cu]27%1014[P](CC[Si](O[Si](CC[P]3(c1ccccc1)c1ccccc1)(O)O)(O)O)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Siloxanol-Functionalized Copper Iodide Cluster as a Thermochromic Luminescent Building Block
• Authors of publication: Sandrine Perruchas; Nicolas Desboeufs; Sébastien Maron; Xavier F. Le Goff; Alexandre Fargues; Alain Garcia; Thierry Gacoin; Jean-Pierre Boilot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 794 - 798
• a: 22.616 ± 0.001 Å
• b: 22.616 ± 0.001 Å
• c: 16.932 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8660.4 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No