Information card for entry 7106524

Structure parameters

• Common name: 2,4,6-triisopropylbenzoato-O,O'-copper(i)
• Chemical name: 2,4,6-triisopropylbenzoato-O,O'-copper(I)
• Formula: C16 H23 Cu O2
• Calculated formula: C16 H23 Cu O2
• Title of publication: Insulated copper(I) 'wires': structural variations and photoluminescence
• Authors of publication: Oleksandr Hietsoi; Cristina Dubceac; Alexander S. Filatov; Marina A. Petrukhina
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6939
• a: 17.979 ± 0.003 Å
• b: 5.785 ± 0.001 Å
• c: 15.146 ± 0.003 Å
• α: 90°
• β: 104.285 ± 0.003°
• γ: 90°
• Cell volume: 1526.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No