Information card for entry 4079946

Structure parameters

• Formula: C15 H18 F6 N P Ru S2
• Calculated formula: C15 H18 F6 N P Ru S2
• 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: 8.7715 ± 0.0016 Å
• b: 10.4845 ± 0.0019 Å
• c: 21.328 ± 0.004 Å
• α: 90°
• β: 98.983 ± 0.002°
• γ: 90°
• Cell volume: 1937.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No