Information card for entry 4073593

Structure parameters

• Common name: complex 3
• Formula: C45 H66 Cu F6 N2 P3
• Calculated formula: C45 H66 Cu F6 N2 P3
• SMILES: [Cu]12([P](c3c(cc(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)=Cc3[n]2c(ccc3)C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structures, and Catalytic Properties of Late-Transition-Metal 2,6-Bis(2-phosphaethenyl)pyridine Complexes
• Authors of publication: Hayashi, Akito; Okazaki, Masaaki; Ozawa, Fumiyuki; Tanaka, Rika
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5246
• a: 11.73 ± 0.003 Å
• b: 13.31 ± 0.003 Å
• c: 18.69 ± 0.005 Å
• α: 95.4 ± 0.005°
• β: 95.81 ± 0.004°
• γ: 110.56 ± 0.005°
• Cell volume: 2691.6 ± 1.2 ų
• Cell temperature: 223.2 K
• Ambient diffraction temperature: 223 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 significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.742
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No