Information card for entry 7124016

Structure parameters

• Formula: C23 H16 F3 N4 O5 Re S
• Calculated formula: C23 H16 F3 N4 O5 Re S
• Title of publication: An Integrated Re(I) Photocatalyst/Sensitizer that Activates the Formation of Formic Acid from Reduction of CO2
• Authors of publication: Hameed, Yasmeen; Berro, Patrick; Gabidullin, Bulat; Richeson, Darrin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.3001 ± 0.0002 Å
• b: 14.2559 ± 0.0004 Å
• c: 22.3731 ± 0.0006 Å
• α: 90°
• β: 98.949 ± 0.001°
• γ: 90°
• Cell volume: 2300.01 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No