Information card for entry 4322834

Structure parameters

• Formula: C17 H20 F3 O6 P Ru2 S
• Calculated formula: C17 H20 F3 O6 P Ru2 S
• SMILES: [Ru]1234([H][Ru]5678([P](C)(C)C)([cH]9[cH]5[cH]6[cH]7[cH]89)C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Protonation of Metal-Metal Bonds in Cp~2~Ru~2~(Co)~3~(PR~3~) and Cp~2~Mo~2~(CO)~4~(PR~3~)~2~
• Authors of publication: Chip Nataro; Robert J. Angelici
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2975 - 2983
• a: 12.76 ± 0.001 Å
• b: 11.288 ± 0.001 Å
• c: 16.691 ± 0.002 Å
• α: 90°
• β: 111.93 ± 0.01°
• γ: 90°
• Cell volume: 2230.1 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.1072
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No