Information card for entry 4074607

Structure parameters

• Formula: C24 H36 Cl F6 N P2 Ru
• Calculated formula: C24 H36 Cl F6 N P2 Ru
• SMILES: [Ru]123456(Cl)([P]7(CCC[c]86[cH]1[cH]2[cH]3[cH]4[cH]58)[C@@H](C[C@H]7C(C)C)C(C)C)[NH2]c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1
• Authors of publication: Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2607
• a: 10.3198 ± 0.0008 Å
• b: 20.126 ± 0.002 Å
• c: 13.0266 ± 0.0004 Å
• α: 90°
• β: 93.332 ± 0.004°
• γ: 90°
• Cell volume: 2701 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No