Information card for entry 2005821

Structure parameters

• Chemical name: Bis(dicyclohexylammonium) aquadimethyldioxalatostannate.ethanol
• Formula: C32 H62 N2 O10 Sn
• Calculated formula: C32 H62 N2 O10 Sn
• SMILES: [Sn]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)([OH2])(C)C.OCC.[NH2+](C1CCCCC1)C1CCCCC1.[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: Bis(dicyclohexylammonium) Aquadimethyldi(oxalato-<i>O</i>,<i>O</i>')stannate Ethanol Solvate
• Authors of publication: Ng, S. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2990 - 2992
• a: 12.815 ± 0.001 Å
• b: 22.5637 ± 0.0008 Å
• c: 13.224 ± 0.001 Å
• α: 90°
• β: 101.306 ± 0.004°
• γ: 90°
• Cell volume: 3749.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.0836
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No