Information card for entry 4079944

Structure parameters

• Formula: C15 H21 F6 N2 P Ru
• Calculated formula: C15 H21 F6 N2 P Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ru]123456789([cH]%10[cH]1[cH]2[cH]4[c]5([c]3%10N(C)C)N(C)C)[cH]1[cH]9[cH]6[cH]8[cH]71
• Title of publication: Preparation and Properties of Cyclopentadienyl Ruthenocenium Complexes with 1,2-Disubstituted Benzene Ligands: Competition between Chelate Coordination and Sandwich Coordination
• Authors of publication: Mori, Shotaro; Mochida, Tomoyuki
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 283
• a: 8.9716 ± 0.0013 Å
• b: 13.974 ± 0.002 Å
• c: 14.173 ± 0.002 Å
• α: 90°
• β: 99.419 ± 0.002°
• γ: 90°
• Cell volume: 1752.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No