Information card for entry 7714059

Structure parameters

• Formula: C36 H48 Si2
• Calculated formula: C36 H48 Si2
• Title of publication: Functionalised organometallic photoswitches containing dihydropyrene units
• Authors of publication: Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.9812 ± 0.0004 Å
• b: 21.0158 ± 0.0005 Å
• c: 15.1892 ± 0.0004 Å
• α: 90°
• β: 112.687 ± 0.004°
• γ: 90°
• Cell volume: 3528.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.2671
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No