Information card for entry 2020119

Structure parameters

• Chemical name: Bis(benzyltriphenylphosphonium) dichloride dodecachlorohexasilane
• Formula: C50 H44 Cl14 P2 Si6
• Calculated formula: C50 H44 Cl14 P2 Si6
• Title of publication: A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates
• Authors of publication: Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• a: 11.0097 ± 0.0017 Å
• b: 12.7082 ± 0.0018 Å
• c: 13.0269 ± 0.0018 Å
• α: 61.618 ± 0.01°
• β: 72.804 ± 0.011°
• γ: 71.605 ± 0.011°
• Cell volume: 1498.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.136
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes