Information card for entry 4133517

Structure parameters

• Chemical name: [Cu(PPh2C4)2phen]2(PF6)2
• Formula: C123 H119 Cu2 F12 N9 O P6
• Calculated formula: C123 H119 Cu2 F12 N9 O P6
• Title of publication: Highly Efficient and Robust Photocatalytic Systems for CO₂ Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts.
• Authors of publication: Takeda, Hiroyuki; Kamiyama, Hiroko; Okamoto, Kouhei; Irimajiri, Mina; Mizutani, Toshihide; Koike, Kazuhide; Sekine, Akiko; Ishitani, Osamu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 17241 - 17254
• a: 27.5497 ± 0.0007 Å
• b: 16.772 ± 0.0005 Å
• c: 24.5756 ± 0.0007 Å
• α: 90°
• β: 96.29 ± 0.001°
• γ: 90°
• Cell volume: 11287.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No