Information card for entry 4000276

Structure parameters

• Formula: C23 H34 F12 N2 O3 Ru
• Calculated formula: C23 H34 F12 N2 O3 Ru
• SMILES: CC(=O)C.CC[NH]1CC(O[Ru]23451(OC(C[NH]2CC)(C(F)(F)F)C(F)(F)F)[CH]1=[CH]5CC[CH]3=[CH]4CC1)(C(F)(F)F)C(F)(F)F
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 8.5851 ± 0.0001 Å
• b: 19.8223 ± 0.0002 Å
• c: 32.9218 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5602.51 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No