Information card for entry 2201653

Structure parameters

• Formula: C40 H40 Cu2 I2 N4
• Calculated formula: C40 H40 Cu2 I2 N4
• SMILES: c1cc(/C=C/C=[N]2CC[N](=C/C=C/c3ccccc3)[Cu]342[I][Cu]24([I]3)[N](=C/C=C/c3ccccc3)CC[N]2=C/C=C/c2ccccc2)ccc1
• Title of publication: Di-μ-iodo-bis{[bis(<i>trans</i>-cinnamaldehyde)ethylenediimine-κ^2^<i>N,N</i>']copper(I)}
• Authors of publication: Guido Kickelbick; Mehdi Amirnasr; Aliakbar Dehno Khalaji; Saeed Dehghanpour
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m381 - m382
• a: 12.031 ± 0.003 Å
• b: 11.926 ± 0.003 Å
• c: 27.06 ± 0.007 Å
• α: 90°
• β: 95.877 ± 0.004°
• γ: 90°
• Cell volume: 3862.2 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes