Information card for entry 7003407

Structure parameters

• Formula: C102 H162.67 As6 Na12 O31 Se18
• Calculated formula: C96 H150 As6 Na12 O30 Se18
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]1[Na]2345.[Na+].[As](=[Se])([Se-])([Se-])c1ccccc1
• 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: 32.3388 ± 0.0019 Å
• b: 32.3388 ± 0.0019 Å
• c: 12.6601 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11466.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No