Information card for entry 2241962

Structure parameters

• Chemical name: (Acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)
• Formula: C28 H27 Cu I N3
• Calculated formula: C28 H27 Cu I N3
• SMILES: [Cu]1(I)([N](c2c(cc(cc2C)C)C)=C(C)c2[n]1c(ccc2)c1cccc2c1cccc2)[N]#CC
• Title of publication: Crystal structure of (acetonitrile-κ<i>N</i>)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)
• Authors of publication: Al-Najjar, Nada; Solan, Gregory A.; Singh, Kuldip
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1845 - 1847
• a: 14.689 ± 0.003 Å
• b: 8.0775 ± 0.0015 Å
• c: 21.861 ± 0.004 Å
• α: 90°
• β: 103.942 ± 0.003°
• γ: 90°
• Cell volume: 2517.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes