Information card for entry 4084637

Structure parameters

• Formula: C36 H30 Cl2 O2 Si2 Sn2
• Calculated formula: C36 H30 Cl2 O2 Si2 Sn2
• SMILES: [Sn]1(Cl)[O]([Sn](Cl)[O]1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structure vs119Sn NMR Chemical Shift in Three-Coordinated Tin(II) Complexes: Experimental Data and Predictive DFT Computations
• Authors of publication: Wang, Lingfang; Kefalidis, Christos E.; Roisnel, Thierry; Sinbandhit, Sourisak; Maron, Laurent; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2139
• a: 9.8651 ± 0.0002 Å
• b: 12.6482 ± 0.0003 Å
• c: 14.6314 ± 0.0003 Å
• α: 94.749 ± 0.001°
• β: 104.798 ± 0.001°
• γ: 105.615 ± 0.001°
• Cell volume: 1677.28 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0204
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No