Information card for entry 2016408

Structure parameters

• Common name: sodium cacodylate tetrahydrate
• Chemical name: di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)
• Formula: C4 H28 As2 Na2 O12
• Calculated formula: C4 H28 As2 Na2 O12
• SMILES: C[As](C)(=O)[O-].C[As](C)(=O)[O-].[OH2][Na]1([OH2])([OH2])[OH2][Na]([OH2]1)([OH2])([OH2])[OH2]
• Title of publication: Investigation of commercial sodium cacodylate trihydrate: penta-μ-aqua-disodium(I) bis(dimethylarsenate) and di-μ-aqua-bis[triaquasodium(I)] bis(dimethylarsenate)
• Authors of publication: Lennartson, Anders; Håkansson, Mikael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m13 - m16
• a: 11.516 ± 0.003 Å
• b: 8.838 ± 0.002 Å
• c: 19.635 ± 0.005 Å
• α: 90°
• β: 109.907 ± 0.008°
• γ: 90°
• Cell volume: 1879 ± 0.8 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes