Information card for entry 4067669

Structure parameters

• Formula: C31 H37 F18 N8 P3 Ru2
• Calculated formula: C31 H37 F18 N8 P3 Ru2
• SMILES: c12[c]34[c]5([cH]6[c]7([cH]8[cH]3[Ru]39%10%11%1245678[cH]4[cH]3[cH]9[cH]%10[cH]%11[cH]%124)N(C)C)[Ru]([n]2cccc1)([N]#CC)([N]#CC)([N]#CC)[N]#CC.CC#N.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: One-Pot Generation of a Tris-cationic Homobimetallic Planar-Chiral Ruthenacycle
• Authors of publication: Djukic, Jean-Pierre; Fetzer, Ludivine; Czysz, Andrew; Iali, Wissam; Sirlin, Claude; Pfeffer, Michel
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1675
• a: 12.3248 ± 0.0005 Å
• b: 13.3224 ± 0.0004 Å
• c: 14.0713 ± 0.0006 Å
• α: 84.529 ± 0.002°
• β: 78.884 ± 0.002°
• γ: 84.606 ± 0.002°
• Cell volume: 2250 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No