Information card for entry 4343445

Structure parameters

• Formula: C42 H51 F6 N3 O6 S2 Sn
• Calculated formula: C35 H43 F6 N3 O6 S2 Sn
• SMILES: [Sn]12([N](c3c(cccc3C(C)C)C(C)C)=C(c3[n]2c(ccc3)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: N-Coordinated Tin(II) Trifluoromethanesulfonates and Their Reactions with Transition Metal Carbonyls.
• Authors of publication: Bouska, Marek; Dostál, Libor; Lutter, Michael; Glowacki, Britta; Ruzickova, Zdenka; Beck, Daniel; Jambor, Roman; Jurkschat, Klaus
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6792 - 6800
• a: 12.917 ± 0.0008 Å
• b: 13.372 ± 0.0009 Å
• c: 14.449 ± 0.0011 Å
• α: 105.776 ± 0.005°
• β: 105.341 ± 0.005°
• γ: 96.303 ± 0.005°
• Cell volume: 2271.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No