Information card for entry 7716823

Structure parameters

• Formula: C54 H38 N4 O4 Sn2
• Calculated formula: C54 H38 N4 O4 Sn2
• Title of publication: Temperature dependent photoluminescence down to 77 K of organotin molecular rotors: Eco-friendly synthesis, photophysical characterization, X-ray structures, and DFT studies.
• Authors of publication: Jimenez, Victor; Canton, Arelly; Muñoz Flores, Blanca; Macias-Gamboa, Luis Fernando; Moggio, Ivana; Arias, Eduardo; Turlakov, Gleb; Dias, Rasika; Colombo, Gioele; Brenna, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.115 ± 0.0008 Å
• b: 10.5354 ± 0.0009 Å
• c: 12.3958 ± 0.0011 Å
• α: 80.286 ± 0.002°
• β: 72.486 ± 0.002°
• γ: 68.711 ± 0.002°
• Cell volume: 1055.35 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No