Information card for entry 2211228

Structure parameters

• Chemical name: Diiodo-[μ-bis(1-pyridin-2-ylethylidene)ethane-1,2-diamine-κ^2^<i>N</i>,\ <i>N</i>'] -bis[triphenylphosphine-κ<i>P</i>]dicopper(I) acetonitrile disolvate
• Formula: C56 H54 Cu2 I2 N6 P2
• Calculated formula: C56 H54 Cu2 I2 N6 P2
• SMILES: I[Cu@@]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(cccc2)C(C)=[N]1CC[N]1=C(c2cccc[n]2[Cu@]1(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C.N#CC.N#CC
• Title of publication: {μ-Bis[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}bis[iodo(triphenylphosphine-κ<i>P</i>)copper(I)] acetonitrile disolvate
• Authors of publication: Aliakbar Dehno Khalajii; Medhi Amirnasr; Richard Welter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2950 - m2951
• a: 9.222 ± 0.0002 Å
• b: 18.647 ± 0.0004 Å
• c: 15.657 ± 0.0004 Å
• α: 90°
• β: 95.13 ± 0.001°
• γ: 90°
• Cell volume: 2681.63 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes