Information card for entry 2016074

Structure parameters

• Chemical name: Bis[1,2-bis(diphenylphosphino)ethane-κ^2^P,P']difluoridoruthenium(II) trichloromethane disolvate
• Formula: C54 H50 Cl6 F2 P4 Ru
• Calculated formula: C54 H50 Cl6 F2 P4 Ru
• SMILES: C1[P](c2ccccc2)([Ru]2(F)(F)([P](c3ccccc3)(C1)c1ccccc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Bis[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']difluoridoruthenium(II) trichloromethane disolvate
• Authors of publication: Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m383 - m384
• a: 11.3274 ± 0.0008 Å
• b: 17.809 ± 0.0012 Å
• c: 12.9556 ± 0.0009 Å
• α: 90°
• β: 94.885 ± 0.001°
• γ: 90°
• Cell volume: 2604 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes