Information card for entry 7003408

Structure parameters

• Formula: C10 H19 As Na2 O4 Se3
• Calculated formula: C10 H19 As Na2 O4 Se3
• SMILES: [As](=[Se])([Se-])([Se-])c1ccccc1.[Na+].[Na+].O.O.O.O1CCCC1
• Title of publication: Reactivity of a heterocyclic As‒Se compound with metal salts: syntheses and structures of the first copper complexes and of new alkali metal salts containing As‒Se anions
• Authors of publication: Zell, Thomas; Shi, Weifeng; Langer, Robert; Ponikiewski, Lukasz; Rothenberger, Alexander
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 932 - 937
• a: 19.9887 ± 0.0015 Å
• b: 6.9605 ± 0.0008 Å
• c: 14.3162 ± 0.0015 Å
• α: 90°
• β: 110.304 ± 0.013°
• γ: 90°
• Cell volume: 1868.1 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1293
• 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: No
• Has Fobs: No