Information card for entry 1549124

Structure parameters

• Formula: C66 H44 F12 N6 O P2 Ru
• Calculated formula: C66 H44 F12 N6 O P2 Ru
• Title of publication: Chiral macrocyclic terpyridine complexes.
• Authors of publication: Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 3837 - 3843
• a: 16.392 ± 0.0001 Å
• b: 16.392 ± 0.0001 Å
• c: 21.9038 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5885.5 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No