Information card for entry 4089540

Structure parameters

• Formula: C67 H66 B N2 O3 P2 Ru
• Calculated formula: C67 H66 B N2 O3 P2 Ru
• Title of publication: Cycloaddition of Coordinated Diazoalkanes to Ethene To Yield 3H-Pyrazole Derivatives
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Baldan, Daniela; Castro, Jesús; Comparin, Giulia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3157
• a: 15.4761 ± 0.0016 Å
• b: 18.1045 ± 0.0019 Å
• c: 22.291 ± 0.002 Å
• α: 90°
• β: 109.305 ± 0.002°
• γ: 90°
• Cell volume: 5894.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.2098
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No