Information card for entry 7032853

Structure parameters

• Formula: C17 H16 Cl Cu N3 O2
• Calculated formula: C17 H16 Cl Cu N3 O2
• Title of publication: Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.
• Authors of publication: Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1612 - 1626
• a: 9.056 ± 0.001 Å
• b: 7.533 ± 0.001 Å
• c: 12.17 ± 0.001 Å
• α: 90°
• β: 90.01 ± 0.004°
• γ: 90°
• Cell volume: 830.22 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No