Information card for entry 4133414

Structure parameters

• Formula: C37 H27 F12 N4 O P3 Ru
• Calculated formula: C37 H27 F12 N4 O P3 Ru
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Ru]5(C#[O])([n]12)([n]34)[n]1cccc2cccc(c12)[P]5(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Function-Integrated Ru Catalyst for Photochemical CO₂ Reduction.
• Authors of publication: Lee, Sze Koon; Kondo, Mio; Okamura, Masaya; Enomoto, Takafumi; Nakamura, Go; Masaoka, Shigeyuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 49
• Pages of publication: 16899 - 16903
• a: 12.0274 ± 0.0002 Å
• b: 14.89 ± 0.0003 Å
• c: 20.8508 ± 0.0004 Å
• α: 90°
• β: 94.768 ± 0.007°
• γ: 90°
• Cell volume: 3721.21 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No