Information card for entry 4340398

Structure parameters

• Formula: C24 H57 I4 O16 Tl
• Calculated formula: C24 H48 I4 O16 Tl
• SMILES: I[Tl](I)([I-])I.C1OCCOCCOCCOCCOCCOC1.O.C1OCCOCCOCCOCCOCCOC1.O.O.O
• Title of publication: Inorganic supramolecular host architectures: [(M@18c6)2][TlI4].2H2O, M=0.5 Tl, (NH4,NH3), (H3O,H2O).
• Authors of publication: Rieger, Franziska; Mudring, Anja-V
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9340 - 9346
• a: 21.379 ± 0.0018 Å
• b: 21.379 ± 0.0018 Å
• c: 21.379 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9771.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3 :2
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No