Information card for entry 7703575

Structure parameters

• Formula: C69 H111 Cu F6 N P3
• Calculated formula: C69 H111 Cu F6 N P3
• Title of publication: Cu(i) complex bearing a PNP-pincer-type phosphaalkene ligand with a bulky fused-ring Eind group: properties and applications to FLP-type bond activation and catalytic CO₂ reduction.
• Authors of publication: Takeuchi, Katsuhiko; Tanaka, Yuto; Tanigawa, Ippei; Ozawa, Fumiyuki; Choi, Jun-Chul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3630 - 3637
• a: 10.4742 ± 0.0002 Å
• b: 17.0519 ± 0.0003 Å
• c: 19.2242 ± 0.0004 Å
• α: 87.4499 ± 0.0015°
• β: 85.4988 ± 0.0016°
• γ: 76.9395 ± 0.0017°
• Cell volume: 3333.14 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No