Information card for entry 7043731

Structure parameters

• Formula: C30 H24 F18 N5 O P2 Ru S
• Calculated formula: C30 H24 F18 N5 O P2 Ru S
• Title of publication: Frontier orbitals of photosubstitutionally active ruthenium complexes: an experimental study of the spectator ligands’ electronic properties influence on photoreactivity
• Authors of publication: Jang, Hyo Jin; Hopkins, Samantha L.; Siegler, Maxime A.; Bonnet, Sylvestre
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 34.6961 ± 0.0006 Å
• b: 34.6961 ± 0.0006 Å
• c: 16.7145 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17425.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No