Information card for entry 4072520

Structure parameters

• Formula: C37 H38 Cl3 F6 P3 Ru
• Calculated formula: C37 H38 Cl3 F6 P3 Ru
• SMILES: [Ru]123456([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Mechanistic Studies on the Formation of η2-Diphosphine (η6-p-cymene)ruthenium(II) Compounds
• Authors of publication: Chaplin, Adrian B.; Fellay, Céline; Laurenczy, Gábor; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 586
• a: 11.162 ± 0.002 Å
• b: 30.243 ± 0.006 Å
• c: 11.176 ± 0.002 Å
• α: 90°
• β: 91.33 ± 0.03°
• γ: 90°
• Cell volume: 3771.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No