Information card for entry 4080817

Structure parameters

• Chemical name: difluorido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane
• Formula: C24 H46 F2 O10 Sn
• Calculated formula: C24 H46 F2 O10 Sn
• SMILES: [Sn](CC1COCCOCCOCCOCCOC1)(CC1COCCOCCOCCOCCOC1)(F)F
• 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: 14.586 ± 0.006 Å
• b: 12.2579 ± 0.0013 Å
• c: 16.169 ± 0.004 Å
• α: 90°
• β: 102.09 ± 0.04°
• γ: 90°
• Cell volume: 2826.8 ± 1.5 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: 0.0546
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.0305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No