Information card for entry 4130299

Structure parameters

• Chemical name: [Cu(PPh2Pr)2dmp]2(PF6)2
• Formula: C96 H96 Cu2 F12 N8 P6
• Calculated formula: C96 H96 Cu2 F12 N8 P6
• Title of publication: Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.
• Authors of publication: Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4354 - 4357
• a: 12.1652 ± 0.0003 Å
• b: 12.9516 ± 0.0003 Å
• c: 15.5693 ± 0.0003 Å
• α: 73.1952 ± 0.0012°
• β: 74.4114 ± 0.0014°
• γ: 77.2486 ± 0.0012°
• Cell volume: 2234.56 ± 0.09 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0952
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No