Information card for entry 2217306

Structure parameters

• Chemical name: Di-μ~3~-iodido-diiodidobis(μ~2~-4'-phenyl-2,2':6',2''- terpyridine)tetracopper(I)
• Formula: C42 H30 Cu4 I4 N6
• Calculated formula: C42 H30 Cu4 I4 N6
• SMILES: [I]12[Cu]345([I]6[Cu]7814[n]1ccccc1c1cc(cc4[n]71[Cu]68(I)[n]1c4cccc1)c1ccccc1)[n]1ccccc1c1cc(cc4[n]31[Cu]25(I)[n]1c4cccc1)c1ccccc1
• Title of publication: Di-μ~3~-iodido-diiodidobis(μ~2~-4'-phenyl-2,2':6',2''-terpyridine)tetracopper(I)
• Authors of publication: Xie, Han-Yuan; Zhang, Lei; Shi, Wen-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m42 - m43
• a: 8.8536 ± 0.0006 Å
• b: 9.7836 ± 0.0007 Å
• c: 25.4728 ± 0.0018 Å
• α: 90°
• β: 102.542 ± 0.002°
• γ: 90°
• Cell volume: 2153.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes