Information card for entry 4079530

Structure parameters

• Formula: C25 H48 N P3 Ru
• Calculated formula: C25 H48 N P3 Ru
• SMILES: [Ru]12345([P]6(CN(C[P]71[C@@H](CC[C@H]7C)C)C[P]12[C@@H](CC[C@H]1C)C)[C@@H](CC[C@H]6C)C)[C](=[CH2]3)(C4)C5
• Title of publication: Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands
• Authors of publication: Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 7024
• a: 8.48059 ± 0.00006 Å
• b: 9.12047 ± 0.00006 Å
• c: 34.1042 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2637.86 ± 0.03 ų
• Cell temperature: 114.97 ± 0.11 K
• Ambient diffraction temperature: 114.97 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No