Information card for entry 4310732

Structure parameters

• Formula: C45 H34 Cl F3 O4 P2 Ru S
• Calculated formula: C45 H34 Cl F3 O4 P2 Ru S
• SMILES: Cl[Ru]123456([P](O)(c7ccccc7)c7ccccc7)[c]7(c8c9c(ccc8[P]1(c1ccccc1)c1ccccc1)cccc9)[c]12cccc[c]31[cH]5[cH]4[cH]67.S(=O)(=O)(C(F)(F)F)[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: 10.632 ± 0.006 Å
• b: 13.039 ± 0.008 Å
• c: 15.479 ± 0.015 Å
• α: 88.69 ± 0.07°
• β: 79.52 ± 0.06°
• γ: 72.74 ± 0.05°
• Cell volume: 2014 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.0572
• Goodness-of-fit parameter for all reflections: 0.776
• Goodness-of-fit parameter for significantly intense reflections: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No