Information card for entry 7241648

Structure parameters

• Formula: C45 H24 Cl N2 O3 Re
• Calculated formula: C45 H24 Cl N2 O3 Re
• Title of publication: A rhenium catalyst with bifunctional pyrene groups boosts natural light-driven CO2 reduction
• Authors of publication: Qiu, Li-Qi; Chen, Kai-Hong; Yang, Zhi-Wen; He, Liang-Nian
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 8614 - 8622
• a: 7.2328 ± 0.0014 Å
• b: 19.384 ± 0.004 Å
• c: 25.55 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3582.1 ± 1.2 ų
• Cell temperature: 133.15 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No