Information card for entry 7004172

Structure parameters

• Formula: C32 H44 F I2 Na O6 Sn2
• Calculated formula: C32 H44 F I2 Na O6 Sn2
• SMILES: [Na]1234([O]5CC(C[Sn]6(I)(c7ccccc7)[F]([Sn](I)(c7ccccc7)(c7ccccc7)C6))C[O]1CC[O]3CC[O]4CC[O]2CC5)[OH]C
• Title of publication: Charge separation by ditopic complexation in the solid state: molecular structure of {Ph2(I)SnCH2Sn(Ph)(I)CH2-[16]-crown-5}·NaF·CH3OH
• Authors of publication: Reeske, Gregor; Schürmann, Markus; Jurkschat, Klaus
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3398 - 3400
• a: 10.2796 ± 0.0007 Å
• b: 19.1814 ± 0.0016 Å
• c: 19.5578 ± 0.0009 Å
• α: 90°
• β: 92.51 ± 0.004°
• γ: 90°
• Cell volume: 3852.7 ± 0.5 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No