Information card for entry 4073392

Structure parameters

• Formula: C24 H33 I O5 Sn
• Calculated formula: C24 H33 I O5 Sn
• SMILES: I[Sn]1([O]2CC(C1)COCCOCCOCCOCC2)(c1ccccc1)c1ccccc1
• Title of publication: Ph(3-n)XnSnCH2-16-crown-5 (X = F, Cl, Br, I, SCN;n= 1, 2): Intramolecular O →Sn Coordination versus Ditopic Complexation of Sodium Thiocyanate†
• Authors of publication: Reeske, Gregor; Schürmann, Markus; Costisella, Burkhard; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4170
• a: 9.1694 ± 0.0001 Å
• b: 10.0578 ± 0.0002 Å
• c: 13.9514 ± 0.0002 Å
• α: 90°
• β: 95.1086 ± 0.0008°
• γ: 90°
• Cell volume: 1281.54 ± 0.03 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No