Information card for entry 2203982

Structure parameters

• Chemical name: Diiodo(4'-phenyl-2,2':6',2''-terpyridine-κ^3^N)copper(II)
• Formula: C21 H15 Cu I2 N3
• Calculated formula: C21 H15 Cu I2 N3
• SMILES: I[Cu]12(I)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1
• Title of publication: Diiodo(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)copper(II)
• Authors of publication: Hou, Lei; Li, Dan; Wu, Tao; Yin, Ye-Gao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1181 - m1182
• a: 13.855 ± 0.001 Å
• b: 14.995 ± 0.001 Å
• c: 19.245 ± 0.001 Å
• α: 90°
• β: 93.571 ± 0.001°
• γ: 90°
• Cell volume: 3990.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes