Information card for entry 7121879

Structure parameters

• Formula: C68 H98 Si3
• Calculated formula: C68 H98 Si3
• Title of publication: Phenylene-bridged cross-conjugated 1,2,3-trisilacyclopentadienes.
• Authors of publication: Zhao, Hui; Klemmer, Lukas; Cowley, Michael J.; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 60
• Pages of publication: 8399 - 8402
• a: 19.538 ± 0.012 Å
• b: 14.015 ± 0.009 Å
• c: 24.33 ± 0.014 Å
• α: 90°
• β: 108.596 ± 0.014°
• γ: 90°
• Cell volume: 6314 ± 7 ų
• Cell temperature: 182 ± 2 K
• Ambient diffraction temperature: 182 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2225
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No