Information card for entry 4126744

Structure parameters

• Formula: C32.41 H16.41 Cl1.22 F10 Ir N5
• Calculated formula: C32 H16 F10 Ir N5
• Title of publication: Enantioselective Excited-State Photoreactions Controlled by a Chiral Hydrogen-Bonding Iridium Sensitizer.
• Authors of publication: Skubi, Kazimer L.; Kidd, Jesse B.; Jung, Hoimin; Guzei, Ilia A.; Baik, Mu-Hyun; Yoon, Tehshik P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 19.385 ± 0.008 Å
• b: 17.706 ± 0.006 Å
• c: 17.68 ± 0.006 Å
• α: 90°
• β: 95.525 ± 0.01°
• γ: 90°
• Cell volume: 6040 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No