Information card for entry 7012895

Structure parameters

• Common name: (RuCp(eta6-C6H5NMe2))PF6, compound (10)
• Formula: C13 H16 F6 N P Ru
• Calculated formula: C13 H16 F6 N P Ru
• SMILES: [Ru]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[c]1([cH]5[cH]6[cH]7[cH]8[cH]91)N(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Some binding modes of 2-aminopyridine to ruthenium(ii) fragments
• Authors of publication: Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2329
• a: 7.0817 ± 0.0012 Å
• b: 20.162 ± 0.004 Å
• c: 10.7184 ± 0.0019 Å
• α: 90°
• β: 100.217 ± 0.003°
• γ: 90°
• Cell volume: 1506.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No