Information card for entry 1565221

Structure parameters

• Formula: C35 H30 N2 O4.5 Sn
• Calculated formula: C35 H31 N2 O4.5 Sn
• SMILES: [Sn]12(OC(=O)[C@@H]([N]2=Cc2c3c(ccc2O1)cccc3)Cc1c2c([nH]c1)cccc2)(c1ccccc1)c1ccccc1.O.OC
• Title of publication: Ultrasound-assisted synthesis of organotin compounds and their application as luminescent dye in silk fibroin scaffolds
• Authors of publication: Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Ochoa, María E.; Sábio, Rafael M.; Amaral, André C.; da Silva, Robson R.; Ribeiro, Sidney J.L.; da S. Barud, Hernane; Muñoz-Flores, Blanca M.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 505
• Pages of publication: 119490
• a: 9.1929 ± 0.0006 Å
• b: 24.4368 ± 0.0017 Å
• c: 13.3037 ± 0.0009 Å
• α: 90°
• β: 94.56 ± 0.002°
• γ: 90°
• Cell volume: 2979.2 ± 0.3 ų
• Cell temperature: 275 ± 2 K
• Ambient diffraction temperature: 275 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No