Information card for entry 4323719

Structure parameters

• Chemical name: (1,2-biscyclopentadienylethane)diruthenium tetracarbonyl
• Formula: C16 H12 O4 Ru2
• Calculated formula: C16 H12 O4 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11(C#[O])(C1=O)(C2=O)[c]1([cH]%11[cH]%10[cH]9[cH]81)CC[c]13[cH]7[cH]6[cH]5[cH]41)C#[O]
• 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: 8.097 ± 0.002 Å
• b: 13.376 ± 0.003 Å
• c: 13.925 ± 0.003 Å
• α: 90°
• β: 94.17 ± 0.03°
• γ: 90°
• Cell volume: 1504.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No