Information card for entry 7219201

Structure parameters

• Formula: C135 H193 Cl9 N2 O32 Si16
• Calculated formula: C135 H193 Cl9 N2 O32 Si16
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si](O[Si]5(O[Si](O[Si](O3)(O[Si](O1)(O5)CC(C)C)CC(C)C)(O4)CC(C)C)CC(C)C)(O2)CC(C)C)CC(C)C)CC(C)C)c1ccc(N2C(=O)c3c4c5c(c6c7c8c(C(=O)N(C(=O)c8cc6Oc6ccc(cc6)C(C)(C)C)c6ccc([Si]89O[Si]%10(O[Si]%11(O[Si](O8)(O[Si]8(O[Si](O[Si](O[Si](O9)(O8)CC(C)C)(O%10)CC(C)C)(O%11)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)cc6)cc(Oc6ccc(cc6)C(C)(C)C)c7c5c(Oc5ccc(C(C)(C)C)cc5)c3)c(Oc3ccc(C(C)(C)C)cc3)cc4C2=O)cc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads
• Authors of publication: Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1453
• a: 15.31 ± 0.008 Å
• b: 15.323 ± 0.009 Å
• c: 37.78 ± 0.02 Å
• α: 100.751 ± 0.01°
• β: 95.049 ± 0.011°
• γ: 102.622 ± 0.01°
• Cell volume: 8420 ± 8 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.4064
• Residual factor for significantly intense reflections: 0.1858
• Weighted residual factors for significantly intense reflections: 0.4245
• Weighted residual factors for all reflections included in the refinement: 0.5002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No