Information card for entry 1556548

Structure parameters

• Formula: C69 H45 Cl2 F18 N3 P4 Ru
• Calculated formula: C69 H45 Cl2 F18 N3 P4 Ru
• SMILES: [Ru]123(Cl)(Cl)[P](c4n([P]3(c3ccc(cc3)C(F)(F)F)c3ccc(cc3)C(F)(F)F)c3c(cccc3)c4C)(c3n([P]1(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1c(c3C)cccc1)c1n([P]2(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)c2c(c1C)cccc2
• Title of publication: 3-Methylindole-Based Tripodal Tetraphosphine Ruthenium Complexes in N2 Coordination and Reduction and Formic Acid Dehydrogenation
• Authors of publication: Van de Watering, F.F.; Heijtbrink, N.; Van der Vlugt, J.I.; Dzik, W.I.; De Bruin, B.; Reek, J.N.H.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 73
• a: 21.594 ± 0.003 Å
• b: 27.753 ± 0.004 Å
• c: 23.938 ± 0.003 Å
• α: 90°
• β: 93.631 ± 0.003°
• γ: 90°
• Cell volume: 14317 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No