Information card for entry 4083545

Structure parameters

• Formula: C38 H52 Cl6 N4 O6 P2 Sn2
• Calculated formula: C38 H52 Cl6 N4 O6 P2 Sn2
• SMILES: c1(c(cccc1CN(C)C)CN(C)C)[Sn]1(OP(=O)O[Sn](c2c(cccc2CN(C)C)CN(C)C)(OP(=O)O1)c1ccccc1)c1ccccc1.ClC(Cl)Cl.C(Cl)(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: 26.0383 ± 0.0005 Å
• b: 9.676 ± 0.0003 Å
• c: 20.034 ± 0.007 Å
• α: 90°
• β: 105.271 ± 0.003°
• γ: 90°
• Cell volume: 4869.3 ± 1.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No