Information card for entry 7714055

Structure parameters

• Formula: C76 H92 Cl2 P2 Ru Si
• Calculated formula: C76 H92 Cl2 P2 Ru Si
• 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: 28.0052 ± 0.0002 Å
• b: 27.3628 ± 0.0002 Å
• c: 8.7392 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6696.85 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No