Information card for entry 4069338

Structure parameters

• Formula: C21 H27 F6 O4 P Ru
• Calculated formula: C21 H27 F6 O4 P Ru
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]167892345[c]2([cH]9[cH]8[c]7([cH]6[c]12OC)/C=C/C(=O)OC)O)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: π-Complexes of Lignols with Manganese(I) and Ruthenium(II)
• Authors of publication: Morvan, Didier; Rauchfuss, Thomas B.; Wilson, Scott R.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3161
• a: 8.0846 ± 0.0014 Å
• b: 9.5602 ± 0.0017 Å
• c: 15.954 ± 0.003 Å
• α: 103.632 ± 0.003°
• β: 96.773 ± 0.002°
• γ: 91.557 ± 0.003°
• Cell volume: 1188.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No