Information card for entry 2210455

Structure parameters

• Chemical name: Di-μ-iodo-bis{[N,N'-bis(3,3-diphenylprop-2-enylidene)propane-1,3-diamine- κ^2^N,N']copper(I)}
• Formula: C66 H60 Cu2 I2 N4
• Calculated formula: C66 H60 Cu2 I2 N4
• SMILES: C1CC[N](=CC=C(c2ccccc2)c2ccccc2)[Cu]2([N]1=CC=C(c1ccccc1)c1ccccc1)[I][Cu]1([I]2)[N](CCC[N]1=CC=C(c1ccccc1)c1ccccc1)=CC=C(c1ccccc1)c1ccccc1
• Title of publication: Di-μ-iodo-bis{[<i>N</i>,<i>N</i>'-bis(3,3-diphenylprop-2-enylidene)propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']copper(I)}
• 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: 9
• Pages of publication: m2200 - m2201
• a: 9.8335 ± 0.0007 Å
• b: 16.7979 ± 0.0015 Å
• c: 17.7501 ± 0.0013 Å
• α: 90°
• β: 98.348 ± 0.009°
• γ: 90°
• Cell volume: 2900.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes