Information card for entry 4063355

Structure parameters

• Formula: C75 H58 B F24 N P2 Ru
• Calculated formula: C75 H58 B F24 N 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: 16.31 ± 0.002 Å
• b: 20.172 ± 0.003 Å
• c: 21.551 ± 0.003 Å
• α: 90°
• β: 93.3977 ± 0.0014°
• γ: 90°
• Cell volume: 7077.9 ± 1.7 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No