Information card for entry 4083549

Structure parameters

• Formula: C28.5 H38 B2 N2 O5 Sn
• Calculated formula: C28.5 H38 B2 N2 O5 Sn
• SMILES: [Sn]1(OB(OB(O1)O)O)(c1c(cccc1CN(C)C)CN(C)C)c1ccccc1.c1c(cccc1)C.c1ccc(cc1)C
• Title of publication: Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate
• Authors of publication: Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3021
• a: 13.8631 ± 0.0014 Å
• b: 18.617 ± 0.001 Å
• c: 22.59 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5830.2 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No