Information card for entry 7705573

Structure parameters

• Formula: C36 H44 F36 N2 O8 Sn
• Calculated formula: C36 H44 F36 N2 O8 Sn
• SMILES: [Sn]123(OC(C(F)(F)F)(C(F)(F)F)C(O1)(C(F)(F)F)C(F)(F)F)(OC(C(O2)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(O3)(C(F)(F)F)C(F)(F)F)C(F)(F)F.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O=C(C)C.O=C(C)C
• Title of publication: Formation of monomeric Sn(ii) and Sn(iv) perfluoropinacolate complexes and their characterization by ¹¹⁹Sn Mössbauer and ¹¹⁹Sn NMR spectroscopies.
• Authors of publication: Elinburg, Jessica K.; Hyre, Ariel S.; McNeely, James; Alam, Todd M.; Klenner, Steffen; Pöttgen, Rainer; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13773 - 13785
• a: 12.3859 ± 0.0009 Å
• b: 14.3035 ± 0.0011 Å
• c: 15.7748 ± 0.0013 Å
• α: 82.239 ± 0.002°
• β: 80.467 ± 0.002°
• γ: 70.003 ± 0.002°
• Cell volume: 2580.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No