Information card for entry 4310733

Structure parameters

• Formula: C57 H49 Cl2 F6 O8 P3 Ru S2
• Calculated formula: C57 H49 Cl2 F6 O8 P3 Ru S2
• SMILES: [Ru]123456([P](c7c(c8c(cc7)cccc8)[c]71[c]12=[c]3([cH]4[cH]5[cH]67)cccc1)(c1ccccc1)c1ccccc1)([P](O)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(CC)CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].C(Cl)Cl.O
• Title of publication: X-ray Diffraction and NMR Studies on a Series of Binap-Based Ru(II) Hydroxyphosphine π-Arene Complexes
• Authors of publication: Tilmann J. Geldbach; Frank Breher; Volker Gramlich; P. G. Anil Kumar; Paul S. Pregosin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1920 - 1928
• a: 11.548 ± 0.011 Å
• b: 23.8 ± 0.021 Å
• c: 21.784 ± 0.029 Å
• α: 90°
• β: 104.33 ± 0.09°
• γ: 90°
• Cell volume: 5801 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections: 0.174
• Weighted residual factors for significantly intense reflections: 0.1609
• Goodness-of-fit parameter for all reflections: 0.859
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No