Information card for entry 2225267

Structure parameters

• Chemical name: Bis(2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium) tetrachloridodiphenylstannate(IV)
• Formula: C46 H44 Cl4 F12 N4 O2 Sn
• Calculated formula: C46 H44 Cl4 F12 N4 O2 Sn
• SMILES: c1(cc([C@@H](O)[C@@H]2CCCC[NH2+]2)c2cccc(c2n1)C(F)(F)F)C(F)(F)F.[Sn](c1ccccc1)(c1ccccc1)(Cl)(Cl)(Cl)Cl.c1(cc(c2cccc(c2n1)C(F)(F)F)[C@H](O)[C@@H]1[NH2+]CCCC1)C(F)(F)F
• Title of publication: Bis(2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium) tetrachloridodiphenylstannate(IV)
• Authors of publication: Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; de Lima, Geraldo M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m336 - m337
• a: 8.5578 ± 0.0004 Å
• b: 9.1479 ± 0.0007 Å
• c: 15.9866 ± 0.0011 Å
• α: 104.739 ± 0.003°
• β: 91.671 ± 0.004°
• γ: 97.622 ± 0.004°
• Cell volume: 1197.06 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes