Information card for entry 4080818

Structure parameters

• Chemical name: diiodido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane
• Formula: C20 H38 I2 O8 Sn
• Calculated formula: C20 H38 I2 O8 Sn
• SMILES: C1[C@H]2C[O](CCOCCOCCOC2)[Sn]21(I)(C[C@H]1C[O]2CCOCCOCCOC1)I.C1[C@@H]2C[O](CCOCCOCCOC2)[Sn]21(I)(C[C@@H]1C[O]2CCOCCOCCOC1)I
• Title of publication: Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors
• Authors of publication: Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2775
• a: 14.02 ± 0.005 Å
• b: 11.6934 ± 0.0007 Å
• c: 17.38 ± 0.003 Å
• α: 90°
• β: 101.2 ± 0.04°
• γ: 90°
• Cell volume: 2795 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No