Information card for entry 4063350

Structure parameters

• Formula: C81 H58 B F24 O P2 Ru
• Calculated formula: C81 H58 B F24 O P2 Ru
• Title of publication: Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes
• Authors of publication: Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 204 - 207
• a: 12.725 ± 0.003 Å
• b: 14.534 ± 0.003 Å
• c: 20.587 ± 0.004 Å
• α: 72.528 ± 0.004°
• β: 87.562 ± 0.006°
• γ: 83.046 ± 0.005°
• Cell volume: 3605 ± 1.3 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No