Information card for entry 1576423

Structure parameters

• Formula: C21 H29 Cl2 N O Ru
• Calculated formula: C21 H29 Cl2 N O 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: 7.3074 ± 0.0004 Å
• b: 12.8439 ± 0.0007 Å
• c: 22.1781 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2081.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No