Information card for entry 4082270

Structure parameters

• Formula: C29 H32 Cl F6 N O2 P2 Ru
• Calculated formula: C29 H32 Cl F6 N O2 P2 Ru
• SMILES: [Ru]123456(Cl)([P](OC[C@@H](OC)[c]76[cH]1[cH]2[cH]3[cH]4[cH]57)(c1ccccc1)c1ccccc1)[NH2][C@H](c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences
• Authors of publication: Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4116
• a: 9.4734 ± 0.0004 Å
• b: 16.2505 ± 0.0008 Å
• c: 9.7948 ± 0.0007 Å
• α: 90°
• β: 91.773 ± 0.006°
• γ: 90°
• Cell volume: 1507.16 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No