Information card for entry 4310734

Structure parameters

• Formula: C33 H26 F3 O6.5 P2 Ru S
• Calculated formula: C33 H26 F3 O6.5 P2 Ru S
• 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: 14.422 ± 0.003 Å
• b: 14.972 ± 0.003 Å
• c: 14.869 ± 0.003 Å
• α: 90°
• β: 95.92 ± 0.03°
• γ: 90°
• Cell volume: 3193.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0978
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.1063
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No