Information card for entry 1513836

Structure parameters

• Common name: Tetraguaninium decatungstate acetonitrile tetrahydrate
• Chemical name: Tetraguaninium di-mu5-oxo-icosa-mu-oxo-decaoxodecatungstate acetonitrile tetrahydrate
• Formula: C22 H37 N20 O41 W10
• Calculated formula: C22 H27 N21 O41 W10
• Title of publication: Polyoxotungstates in Molecular Boxes of Purine Bases
• Authors of publication: Kulikov, Vladislav; Meyer, Gerd
• Journal of publication: Crystals
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 64
• a: 14.477 ± 0.0013 Å
• b: 10.8678 ± 0.0009 Å
• c: 21.627 ± 0.002 Å
• α: 90°
• β: 122.78 ± 0.006°
• γ: 90°
• Cell volume: 2860.8 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No