Information card for entry 4079529

Structure parameters

• Formula: C29 H56 N P3 Ru
• Calculated formula: C29 H56 N P3 Ru
• SMILES: [Ru]12345([P]6(CN(C[P]71[C@@H](CC[C@H]7C)C)CP1[C@@H](CC[C@H]1C)C)[C@@H](CC[C@H]6C)C)([C](=[CH2]2)(C3)C)[C](=[CH2]4)(C5)C
• 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: 10.2667 ± 0.00003 Å
• b: 13.3407 ± 0.00005 Å
• c: 22.72424 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3112.43 ± 0.017 ų
• Cell temperature: 114.99 ± 0.1 K
• Ambient diffraction temperature: 114.99 ± 0.1 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: 0.0132
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No