Information card for entry 7102131

Structure parameters

• Common name: catena-poly(!mu-piperadinedi-!mu-cyano-)dicopper(i))-catena- poly(!mu-piperadineocta-!mu-cyano-)octacopper(i))(6/1)
• Chemical name: catena-poly[!mu-piperadinedi-!mu-cyano-)dicopper(I)]- catena-poly[!mu-piperadineocta-!mu-cyano-)octacopper(I)](6/1)
• Formula: C48 H70 Cu20 N34
• Calculated formula: C48 H70 Cu20 N34
• Title of publication: Threaded structure and blue luminescence of (CuCN)20(Piperazine)7.
• Authors of publication: Pike, Robert D; deKrafft, Kathryn E; Ley, Amanda N; Tronic, Tristan A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 3732 - 3734
• a: 8.4553 ± 0.0002 Å
• b: 15.72 ± 0.0003 Å
• c: 27.6308 ± 0.0006 Å
• α: 91.99 ± 0.001°
• β: 93.966 ± 0.001°
• γ: 97.283 ± 0.001°
• Cell volume: 3630.75 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No