Information card for entry 7714056

Structure parameters

• Formula: C64 H70 P2 Ru
• Calculated formula: C64 H70 P2 Ru
• 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: 28.3238 ± 0.0002 Å
• b: 8.8378 ± 0.0001 Å
• c: 44.5941 ± 0.0003 Å
• α: 90°
• β: 99.493 ± 0.001°
• γ: 90°
• Cell volume: 11009.9 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No