Information card for entry 4128004

Structure parameters

• Formula: C22 H38 Cl N3 Ru
• Calculated formula: C22 H38 Cl N3 Ru
• Title of publication: Divergent Synthesis of Densely Substituted Arenes and Pyridines via Cyclotrimerization Reactions of Alkynyl Triazenes.
• Authors of publication: Tan, Jin-Fay; Bormann, Carl T.; Perrin, Florian G.; Chadwick, F. Mark; Severin, Kay; Cramer, Nicolai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10372 - 10383
• a: 17.78429 ± 0.00017 Å
• b: 12.32688 ± 0.00014 Å
• c: 10.75495 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.75 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No