Information card for entry 4079239

Structure parameters

• Formula: C48 H48 F6 P4 Ru
• Calculated formula: C48 H48 F6 P4 Ru
• SMILES: [Ru]123456([P](CC([P]2(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([C]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Flexible Syntheses of Tripodal Phosphine Ligands 1,1,2-Tris(diarylphosphino)ethane and Their Ruthenium η5-C5Me5Complexes
• Authors of publication: Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6589
• a: 12.8112 ± 0.0004 Å
• b: 20.0725 ± 0.001 Å
• c: 19.3187 ± 0.0007 Å
• α: 90°
• β: 108.278 ± 0.002°
• γ: 90°
• Cell volume: 4717.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No