Information card for entry 2006366

Structure parameters

• Formula: C28 H28.5 I N4.5 O3 Sn
• Calculated formula: C28 H28.5 I N4.5 O3 Sn
• SMILES: [I-].[Sn]12345Oc6ccccc6C=[N]3CCN(CC[N]4=Cc3ccccc3O1)CC[N]5=Cc1ccccc1O2.N#CC
• Title of publication: {Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate
• Authors of publication: Watson, Suzanne; Errington, William; Fenn, David; Moore, Peter; Wallbridge, Malcolm G.H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1031 - 1034
• a: 21.4587 ± 0.0001 Å
• b: 14.9163 ± 0.0003 Å
• c: 17.851 ± 0.0003 Å
• α: 90°
• β: 95.118 ± 0.001°
• γ: 90°
• Cell volume: 5691.05 ± 0.15 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.0788
• Goodness-of-fit parameter for all reflections: 1.14
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No