Information card for entry 7219200

Structure parameters

• Formula: C128 H196 Cl6 N2 O32 Si16
• Calculated formula: C128 H196 Cl6 N2 O32 Si16
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.[Si]12(O[Si]3(O[Si]4(O[Si](O[Si]5(O[Si](O4)(O[Si](O[Si](O1)(O5)CC(C)C)(O3)CC(C)C)CC(C)C)CC(C)C)(O2)CC(C)C)CC(C)C)CC(C)C)CCCN1C(=O)c2cc(Oc3ccc(cc3)C(C)(C)C)c3c4c(Oc5ccc(cc5)C(C)(C)C)cc5C(=O)N(C(=O)c6cc(Oc7ccc(cc7)C(C)(C)C)c(c7c(Oc8ccc(cc8)C(C)(C)C)cc(C1=O)c2c37)c4c56)CCC[Si]12O[Si]3(O[Si]4(O[Si]5(O[Si](O[Si](O[Si](O[Si](O1)(O4)CC(C)C)(O5)CC(C)C)(O2)CC(C)C)(O3)CC(C)C)CC(C)C)CC(C)C)CC(C)C
• 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: 10.975 ± 0.004 Å
• b: 21.227 ± 0.007 Å
• c: 34.042 ± 0.01 Å
• α: 87.099 ± 0.007°
• β: 82.157 ± 0.006°
• γ: 83.536 ± 0.006°
• Cell volume: 7802 ± 4 ų
• Cell temperature: 196 ± 2 K
• Ambient diffraction temperature: 196 ± 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: 0.4307
• Residual factor for significantly intense reflections: 0.1564
• Weighted residual factors for significantly intense reflections: 0.3682
• Weighted residual factors for all reflections included in the refinement: 0.4661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No