Information card for entry 2007766

Structure parameters

• Chemical name: Bis(aquatriphenyltin) succinate^.^2[2,4,6-tris(2-pyridyl)-1,3,5-triazine]
• Formula: C76 H62 N12 O6 Sn2
• Calculated formula: C76 H62 N12 O6 Sn2
• SMILES: c1(ccccc1)[Sn](c1ccccc1)(OC(=O)CCC(=O)O[Sn](c1ccccc1)(c1ccccc1)([OH2])c1ccccc1)([OH2])c1ccccc1.n1c(c2ncccc2)nc(nc1c1ncccc1)c1ncccc1.n1c(nc(nc1c1ncccc1)c1ncccc1)c1ncccc1
• Title of publication: Outer-Sphere Coordination of a Multidentate <i>N</i>-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of μ-Succinato-bis(aquatriphenyltin)‒2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1386 - 1389
• a: 8.1259 ± 0.0006 Å
• b: 32.017 ± 0.002 Å
• c: 13.011 ± 0.001 Å
• α: 90°
• β: 103.065 ± 0.007°
• γ: 90°
• Cell volume: 3297.4 ± 0.4 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No