Information card for entry 4111486

Structure parameters

• Formula: C48 H77 N3 O16 Sn3
• Calculated formula: C48 H75 N3 O16 Sn3
• Title of publication: Self-Assembly of Diorganotin(IV) Oxides (R = Me,nBu, Ph) and 2,5-Pyridinedicarboxylic Acid to Polymeric and Trinuclear Macrocyclic Hybrids with Porous Solid-State Structures: Influence of Substituents and Solvent on the Supramolecular Structure
• Authors of publication: Reyes García-Zarracino; Herbert Höpfl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3120 - 3130
• a: 26.594 ± 0.004 Å
• b: 9.5792 ± 0.0014 Å
• c: 24.2 ± 0.004 Å
• α: 90°
• β: 114.73 ± 0.003°
• γ: 90°
• Cell volume: 5599.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No