Information card for entry 4128003

Structure parameters

• Formula: C34 H58 Cl2 N3 O0.5 Ru2
• Calculated formula: C34 H58 Cl2 N3 O0.5 Ru2
• 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: 9.0428 ± 0.0005 Å
• b: 11.1213 ± 0.0006 Å
• c: 18.9745 ± 0.0014 Å
• α: 85.417 ± 0.005°
• β: 84.226 ± 0.005°
• γ: 66.447 ± 0.005°
• Cell volume: 1738.7 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No