Information card for entry 7714060

Structure parameters

• Formula: C64 H69 Br P2 Ru
• Calculated formula: C64 H69 Br 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: 31.4242 ± 0.0014 Å
• b: 19.2612 ± 0.0009 Å
• c: 8.9346 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5407.8 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No