Information card for entry 4088649

Structure parameters

• Formula: C36 H54 Ir N Ru2
• Calculated formula: C36 H21 Ir N Ru2
• Title of publication: Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt
• Authors of publication: Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2348
• a: 10.8621 ± 0.0011 Å
• b: 11.0651 ± 0.0009 Å
• c: 15.7699 ± 0.0013 Å
• α: 99.09 ± 0.003°
• β: 91.631 ± 0.003°
• γ: 113.366 ± 0.003°
• Cell volume: 1709.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No