Information card for entry 2200580

Structure parameters

• Chemical name: trans-(μ^2^-tert-butoxy)bis(μ^2^-2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''- terphenyl-2',2'-diyl)(μ^2^-iodo)tetracopper(I)
• Formula: C52 H59 Cu4 I O
• Calculated formula: C52 H59 Cu4 I O
• SMILES: [Cu]12([Cu]([Cu]34[Cu]25[c]23c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)([I]4)[c]21c(cccc2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[O]5C(C)(C)C
• Title of publication: A tetranuclear copper compound containing three different types of anions: <i>trans</i>-(μ-<i>tert</i>-butoxy)bis(μ-2,4,6,2'',4'',6''-hexamethyl-1,1':3',1''-terphenyl-2',2'-diyl)(μ-iodo)tetracopper(I)
• Authors of publication: Niemeyer, Mark
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: m416 - m418
• a: 12.3307 ± 0.0014 Å
• b: 12.6105 ± 0.001 Å
• c: 16.3613 ± 0.0012 Å
• α: 89.734 ± 0.006°
• β: 80.137 ± 0.007°
• γ: 72.592 ± 0.009°
• Cell volume: 2388.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes