Information card for entry 7003406

Structure parameters

• Formula: C36 H68 As K2 O15 Se3
• Calculated formula: C36 H68 As K2 O15 Se3
• SMILES: [As]12([Se]([K]34567([Se]=1)[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC[O]7CC1)[K]13456([Se]2)[O]2CC[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC2)c1ccccc1.O(C)CCOC.O(C)CCOC
• 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: 8.958 ± 0.0018 Å
• b: 28.59 ± 0.006 Å
• c: 19.33 ± 0.004 Å
• α: 90°
• β: 99.29 ± 0.03°
• γ: 90°
• Cell volume: 4885.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.2149
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No