Information card for entry 4111489

Structure parameters

• Formula: C73 H87 N3 O20 S8 Sn3
• Calculated formula: C71 H75 N3 O19 S8 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: 17.878 ± 0.003 Å
• b: 17.958 ± 0.003 Å
• c: 18.053 ± 0.003 Å
• α: 102.151 ± 0.003°
• β: 104.815 ± 0.004°
• γ: 119.645 ± 0.003°
• Cell volume: 4461.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2035
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.2912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No