Information card for entry 4322081

Structure parameters

• Common name: Complex 2
• Chemical name: [(N-(2-(1-naphthyl)ethyl)-1-aza-4,8-dithiacyclodecane)copper(I)] hexafluorophosphate
• Formula: C22 H31 Cu F6 N P S2
• Calculated formula: C22 H31 Cu F6 N P S2
• Title of publication: Copper(I) Complexes with a NS2-Macrocyclic Ligand Bearing a Pendant Naphthyl Group: Structures of {N-[2-(1-Naphthyl)ethyl]-1-aza-4,8-dithiacyclodecane}copper(I)-Ligand, where Ligand = η2-Naphthalene, Acetonitrile, or Triphenylphosphine
• Authors of publication: Rebecca R. Conry; William S. Striejewske; A. Alex Tipton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2833 - 2843
• a: 15.7318 ± 0.0015 Å
• b: 8.9164 ± 0.001 Å
• c: 17.205 ± 0.002 Å
• α: 90°
• β: 102.431 ± 0.006°
• γ: 90°
• Cell volume: 2356.8 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1545
• Weighted residual factors for significantly intense reflections: 0.1285
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No