Information card for entry 4025488

Structure parameters

• Formula: C55 H56 F12 N12 O3 P2 Ru
• Calculated formula: C55 H56 F12 N12 O3 P2 Ru
• Title of publication: N-Heterocyclic Donor- and Acceptor-Type Ligands Based on 2-(1H-[1,2,3]Triazol-4-yl)pyridines and Their Ruthenium(II) Complexes
• Authors of publication: Bobby Happ; Daniel Escudero; Martin D. Hager; Christian Friebe; Andreas Winter; Helmar Görls; Esra Altuntaş; Leticia González; Ulrich S. Schubert
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4025 - 4038
• a: 13.7601 ± 0.0006 Å
• b: 14.4788 ± 0.0005 Å
• c: 16.27 ± 0.0007 Å
• α: 98.308 ± 0.002°
• β: 92.409 ± 0.002°
• γ: 98.66 ± 0.002°
• Cell volume: 3164.1 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1779
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No