Information card for entry 7716824

Structure parameters

• Formula: C32 H24 N2 O4 Sn
• Calculated formula: C32 H24 N2 O4 Sn
• 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: Cantón-Díaz, Arelly M; Muñoz-Flores, Blanca M; Macías-Gamboa, Luis F; Moggio, Ivana; Arias, Eduardo; Turlakov, Gleb; Dias, H. V. Rasika; Colombo, Gioele; Brenna, Stefano; Jiménez-Pérez, Víctor M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 15010 - 15031
• a: 14.1091 ± 0.001 Å
• b: 21.6813 ± 0.0014 Å
• c: 9.2066 ± 0.0006 Å
• α: 90°
• β: 101.065 ± 0.002°
• γ: 90°
• Cell volume: 2764 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No