Information card for entry 4083547

Structure parameters

• Formula: C43 H64 Cl10 F6 N4 O10 S2 Sn2
• Calculated formula: C43 H64 Cl10 F6 N4 O10 S2 Sn2
• SMILES: c1(c(cccc1C[NH+](C)C)CN(C)C)[Sn]1(c2ccccc2)(O)O[Sn](c2c(cccc2C[NH+](C)C)CN(C)C)(c2ccccc2)(O)O1.FC(F)(F)S(=O)(=O)O.C(Cl)Cl.ClCCl.ClCCl.FC(F)(F)S(=O)(=O)O.C(Cl)Cl.C(Cl)Cl
• 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: 14.561 ± 0.0007 Å
• b: 17.35 ± 0.0017 Å
• c: 24.531 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6197.3 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No