Information card for entry 2232600

Structure parameters

• Common name: 1λ^5^,4λ^5^-Diazatetracyclo[6.6.2.0^4,16^.0^11,15^hexadeca- 1(15),4(16),5,7,9,11,13-heptaene-1,4-bis(ylium) tri-iodidocuprate(I)
• Chemical name: 4,5-Dihydro-3a,5a-diazoniapyrene triiodidocuprate(I)
• Formula: C14 H12 Cu I3 N2
• Calculated formula: C14 H12 Cu I3 N2
• SMILES: [I-][Cu](I)[I-].[n+]12cccc3ccc4ccc[n+](c4c13)CC2
• Title of publication: 4,5-Dihydro-3a,5a-diazoniapyrene triiodidocuprate(I)
• Authors of publication: Wu, Di; Hao, Peng-Chao; Niu, Yun-Yin; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1839
• a: 7.6018 ± 0.0006 Å
• b: 15.0917 ± 0.0012 Å
• c: 14.2776 ± 0.0012 Å
• α: 90°
• β: 98.903 ± 0.001°
• γ: 90°
• Cell volume: 1618.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes