Information card for entry 1576417

Structure parameters

• Formula: C12 H17 Cl2 N Ru
• Calculated formula: C12 H17 Cl2 N Ru
• Title of publication: Controlling Alkyne Dimerization and Trimerization with Ruthenium(II) Arene Isocyanide Catalysts
• Authors of publication: Lapa, Hugo; Del Rosso, Mattia; Zacchini, Stefano; Giarola , Greta; Alegria, Elisabete; Trzeciak, Anna; Marchetti, Fabio; Martins, Luisa Margarida; Biancalana, Lorenzo
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2026
• a: 9.745 ± 0.002 Å
• b: 10.958 ± 0.003 Å
• c: 12.73 ± 0.003 Å
• α: 90°
• β: 98.973 ± 0.005°
• γ: 90°
• Cell volume: 1342.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No