Information card for entry 7233441

Structure parameters

• Formula: C80 H80 Cu4 I4 N4 P4
• Calculated formula: C80 H80 Cu4 I4 N4 P4
• SMILES: [I]12[Cu]3([I]4[Cu]5([I]3[Cu]2([I]5[Cu]14[P](c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccc(cc1)N(C)C)c1ccccc1)[P](c1ccc(cc1)N(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccc(cc1)N(C)C)c1ccccc1
• Title of publication: Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors
• Authors of publication: Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4339 - 4349
• a: 15.3491 ± 0.0004 Å
• b: 15.4845 ± 0.0004 Å
• c: 16.9896 ± 0.0004 Å
• α: 88.448 ± 0.002°
• β: 85.496 ± 0.002°
• γ: 81.231 ± 0.002°
• Cell volume: 3977.98 ± 0.18 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No