Information card for entry 4115787

Structure parameters

• Formula: C18 H36 As4 Cl12 Se6
• Calculated formula: C18 H36 As4 Cl12 Se6
• SMILES: [As](Cl)(Cl)Cl.[As](Cl)(Cl)Cl.[Se]1CCC[Se]CCC[Se]CCC[Se]CCC[Se]CCC[Se]CCC1.[As](Cl)(Cl)Cl.[As](Cl)(Cl)Cl
• Title of publication: Synthesis and Structural Properties of the First Macrocyclic Selenoether Complex of Arsenic(III): A Rare Example of Exo and Endo Coordination in a Single Species
• Authors of publication: Andrew J. Barton; Nicholas J. Hill; William Levason; Gillian Reid
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11801 - 11802
• a: 8.227 ± 0.004 Å
• b: 25.656 ± 0.011 Å
• c: 9.808 ± 0.004 Å
• α: 90°
• β: 95.71 ± 0.03°
• γ: 90°
• Cell volume: 2059.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No