Information card for entry 4517814

Structure parameters

• Formula: C32 H34 Al F36 N O4 Sn
• Calculated formula: C32 H34 Al F36 N O4 Sn
• SMILES: [Sn]([N]12CCC(CC2)CC1)(C(C)C)(C(C)C)C(C)C.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Establishing the Role of Triflate Anions in H2 Activation by a Cationic Triorganotin(IV) Lewis Acid
• Authors of publication: Sapsford, Joshua S.; Csókás, Dániel; Scott, Daniel J.; Turnell-Ritson, Roland C.; Piascik, Adam D.; Pápai, Imre; Ashley, Andrew E.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 7573 - 7583
• a: 14.8706 ± 0.0005 Å
• b: 15.2083 ± 0.0004 Å
• c: 21.9762 ± 0.0006 Å
• α: 90°
• β: 104.671 ± 0.003°
• γ: 90°
• Cell volume: 4808 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• 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: 0.1081
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No