Information card for entry 2007490

Structure parameters

• Chemical name: Bis[2,2'-iminodipyridinium(1+)] bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3-)]bis[aquadibutyltin(IV)] dihydrate
• Formula: C25 H34 N4 O7 Sn
• Calculated formula: C25 H34 N4 O7 Sn
• SMILES: n12c3cc(=O)cc1C(=O)O[Sn]2(CCCC)(CCCC)(OC3=O)[OH2].N(c1[nH+]cccc1)c1ncccc1.O
• Title of publication: Bis[2,2'-iminodipyridinium(1+)] Bis[μ-4-hydroxy-2,6-pyridinedicarboxylato(3 ‒)]bis[aquadibutyltin(IV)] Dihydrate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 914 - 916
• a: 9.226 ± 0.001 Å
• b: 15.164 ± 0.002 Å
• c: 18.868 ± 0.002 Å
• α: 90°
• β: 99.03 ± 0.01°
• γ: 90°
• Cell volume: 2607 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No