Information card for entry 2211534

Structure parameters

• Chemical name: Bis[N,N'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-κ^2^N,N']copper(I) triiodide
• Formula: C64 H56 Cu I3 N4
• Calculated formula: C64 H56 Cu I3 N4
• SMILES: C1[N](=CC=C(c2ccccc2)c2ccccc2)[Cu]2([N](CC[N]2=CC=C(c2ccccc2)c2ccccc2)=CC=C(c2ccccc2)c2ccccc2)[N](C1)=CC=C(c1ccccc1)c1ccccc1.[I-](I)I
• Title of publication: Bis[<i>N</i>,<i>N</i>'-bis(3,3-diphenylprop-2-enylidene)ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']copper(I) triiodide
• Authors of publication: Aliakbar Dehno Khalaji; Mehdi Amirnasr; Jean-Claude Daran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3183 - m3184
• a: 17.1304 ± 0.0007 Å
• b: 17.1304 ± 0.0007 Å
• c: 9.6273 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2825.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No