Information card for entry 7033730

Structure parameters

• Formula: C61 H62 B N O3 P2 Ru
• Calculated formula: C61 H62 B N O3 P2 Ru
• SMILES: [Ru]1234([cH]5[cH]4[cH]3[cH]2[cH]15)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](OCC)(OCC)OCC)[N]#CCc1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of vinylidene complexes of ruthenium with hydrazines and hydroxylamines.
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3439 - 3446
• a: 17.8368 ± 0.0008 Å
• b: 13.1629 ± 0.0006 Å
• c: 24.6728 ± 0.0011 Å
• α: 90°
• β: 110.68 ± 0.0016°
• γ: 90°
• Cell volume: 5419.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No