Information card for entry 4073977

Structure parameters

• Formula: C22 H25 B Cl2 F4 N2 O2 Ru
• Calculated formula: C22 H25 B Cl2 F4 N2 O2 Ru
• SMILES: [Ru]1234567(OC(O)(c8[n]1cccc8)c1[n]2cccc1)[cH]1[c]3([cH]4[cH]5[c]6([cH]71)C(C)C)C.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: From Ion Pairs to Ion Triples through a Hydrogen Bonding-Driven Aggregative Process
• Authors of publication: Zuccaccia, Daniele; Foresti, Elisabetta; Pettirossi, Stefania; Sabatino, Piera; Zuccaccia, Cristiano; Macchioni, Alceo
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6099
• a: 15.782 Å
• b: 18.16 Å
• c: 9.047 Å
• α: 90°
• β: 103.98°
• γ: 90°
• Cell volume: 2516.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No