Information card for entry 4311597

Structure parameters

• Common name: [DPPEAs]2[SnCl6]
• Formula: C54 H52 As2 Cl10 P4 Sn
• Calculated formula: C54 H52 As2 Cl10 P4 Sn
• SMILES: [As]1=P(CC[P+]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Sn]([Cl-])(Cl)([Cl-])(Cl)(Cl)Cl.C(Cl)Cl.[As]1=P(CC[P+]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Stabilized Arsenic(I) Iodide: A Ready Source of Arsenic Iodide Fragments and a Useful Reagent for the Generation of Clusters
• Authors of publication: Bobby D. Ellis; Charles L. B. Macdonald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5981 - 5986
• a: 10.88 ± 0.0007 Å
• b: 11.647 ± 0.0007 Å
• c: 12.954 ± 0.0008 Å
• α: 69.144 ± 0.001°
• β: 79.827 ± 0.001°
• γ: 81.868 ± 0.001°
• Cell volume: 1504.33 ± 0.16 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No