Information card for entry 7024394

Structure parameters

• Formula: C22 H20 Cl F6 N4 P Ru
• Calculated formula: C22 H20 Cl F6 N4 P Ru
• SMILES: [Ru]1234567(Cl)=C8N9Cc%10c(cccc%10)CN%10C=7N(C[c]71[c]2(CN8C=C9)[cH]3[cH]4[cH]5[cH]67)C=C%10.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A new binding geometry for an ortho-xylylene-linked bis(NHC)cyclophane: a ruthenium(II) complex with a chelating (eta(1)-NHC)2:eta(6)-arene ligand.
• Authors of publication: Baker, Murray V.; Brown, David H.; Haque, Rosenani A.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 70 - 72
• a: 10.9815 ± 0.0006 Å
• b: 13.6028 ± 0.0008 Å
• c: 15.4744 ± 0.0009 Å
• α: 90°
• β: 95.016 ± 0.001°
• γ: 90°
• Cell volume: 2302.7 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No