Information card for entry 7043726

Structure parameters

• Formula: C30.41 H28.11 F12 N6.7 P2 Ru
• Calculated formula: C30.406 H28.109 F12 N6.703 P2 Ru
• 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: 10.6593 ± 0.0004 Å
• b: 12.999 ± 0.0005 Å
• c: 13.7679 ± 0.0006 Å
• α: 83.443 ± 0.003°
• β: 73.885 ± 0.003°
• γ: 69.727 ± 0.003°
• Cell volume: 1718.85 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No