Information card for entry 7036759

Structure parameters

• Chemical name: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane catena-tetra-μ-iododicuprate(I)
• Formula: C32 H72 Cu8 I16 N8
• Calculated formula: C32 H72 Cu8 I16 N8
• Title of publication: Halocuprate(i) zigzag chain structures with N-methylated DABCO cations - bright metal-centered luminescence and thermally activated color shifts.
• Authors of publication: Maderlehner, Sebastian; Leitl, Markus J.; Yersin, Hartmut; Pfitzner, Arno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19305 - 19313
• a: 15.8121 ± 0.0002 Å
• b: 9.413 ± 0.0001 Å
• c: 22.9117 ± 0.0003 Å
• α: 90°
• β: 90.011 ± 0.001°
• γ: 90°
• Cell volume: 3410.16 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No