Information card for entry 1576422

Structure parameters

• Formula: C15.5 H22 Cl3 N O2 Ru
• Calculated formula: C15.5 H22 Cl3 N O2 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: 25.2987 ± 0.0009 Å
• b: 17.9124 ± 0.0006 Å
• c: 8.3465 ± 0.0003 Å
• α: 90°
• β: 94.252 ± 0.001°
• γ: 90°
• Cell volume: 3771.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No