Information card for entry 2311532

Structure parameters

• Chemical name: Bis(tetra-<i>n</i>-butylammonium) dichloride decachlorocyclopentasilane dichloromethane disolvate
• Formula: C34 H76 Cl16 N2 Si5
• Calculated formula: C34 H76 Cl16 N2 Si5
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)Cl.[Cl-].Cl[Si]1([Si](Cl)(Cl)[Si](Cl)(Cl)[Si]([Si]1(Cl)Cl)(Cl)Cl)Cl.ClCCl.[Cl-].CCCC[N+](CCCC)(CCCC)CCCC
• Title of publication: Deca-chloro-cyclo-penta-silanes coordinated by pairs of chloride anions, with different cations, but the same solvent mol-ecules.
• Authors of publication: Moxter, Maximilian; Teichmann, Julian; Lerner, Hans-Wolfram; Bolte, Michael; Wagner, Matthias
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1903 - 1907
• a: 20.9091 ± 0.0015 Å
• b: 15.7423 ± 0.0007 Å
• c: 19.8734 ± 0.0016 Å
• α: 90°
• β: 112.451 ± 0.006°
• γ: 90°
• Cell volume: 6045.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No