Information card for entry 1519464

Structure parameters

• Formula: C104 H96 Cl40 O28 Si8
• Calculated formula: C104 H96 Cl40 O28 Si8
• SMILES: Clc1c(OC(=O)CC(CC[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]2(O[Si](O[Si](O4)(O[Si](O3)(O2)CCC(C)(C)CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CCC(C)(C)CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(O5)CCC(C)(C)CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CCC(C)(C)CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CCC(C)(CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C)CCC(CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(C)C)CCC(C)(C)CC(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(C)C)c(Cl)c(Cl)c(Cl)c1Cl
• Title of publication: C104H96Cl40O28Si8
• Authors of publication: Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 936
• a: 10.7863 ± 0.0009 Å
• b: 18.4652 ± 0.0015 Å
• c: 19.0801 ± 0.0019 Å
• α: 68.711 ± 0.004°
• β: 81.679 ± 0.005°
• γ: 82.351 ± 0.007°
• Cell volume: 3490.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.357
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No