Information card for entry 4323717

Structure parameters

• Chemical name: [(biscyclopentadienylmethane)diruthenium tetracarbonyl(/m-hydride)] [trifluoromethylsulfonate]
• Formula: C16 H11 F3 O7 Ru2 S
• Calculated formula: C16 H11 F3 O7 Ru2 S
• SMILES: [Ru]12345([H][Ru]6789([c]%10([cH]6[cH]7[cH]8[cH]9%10)C[c]61[cH]5[cH]4[cH]3[cH]26)(C#[O])C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cyclopentadienyl Ligand Effects on Enthalpies of Protonation of the Ru-Ru Bond in Cp'2Ru2(CO)4 Complexes
• Authors of publication: Chip Nataro; Leonard M. Thomas; Robert J. Angelici
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 6000 - 6008
• a: 30.709 ± 0.004 Å
• b: 10.374 ± 0.001 Å
• c: 12.696 ± 0.002 Å
• α: 90°
• β: 112.62 ± 0.01°
• γ: 90°
• Cell volume: 3733.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.0984
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No