Information card for entry 4322080

Structure parameters

• Common name: Complex 1
• Chemical name: [(N-(2-(1-naphthyl)ethyl)-1-aza-4,8- dithiacyclodecane)copper(I)(acetonitrile)]hexafluorophosphate
• Formula: C21 H28 Cu F6 N2 P S2
• Calculated formula: C21 H28 Cu F6 N2 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: 11.1901 ± 0.001 Å
• b: 11.2735 ± 0.0012 Å
• c: 12.135 ± 0.001 Å
• α: 98.996 ± 0.008°
• β: 117.188 ± 0.006°
• γ: 105.354 ± 0.007°
• Cell volume: 1242.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1418
• Weighted residual factors for significantly intense reflections: 0.1291
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No