Information card for entry 4342385

Structure parameters

• Formula: C29 H55 O P2 Ru Ta
• Calculated formula: C29 H55 O P2 Ru Ta
• SMILES: [Ta]123456789%10([RuH]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(C#[O])([H]9)[H]%10)([cH]9[cH]3[cH]6[cH]8[cH]49)[cH]3[cH]1[cH]2[cH]7[cH]53
• Title of publication: Anionic Tantalum Dihydride Complexes: Heterobimetallic Coupling Reactions and Reactivity toward Small-Molecule Activation.
• Authors of publication: Ostapowicz, Thomas G.; Fryzuk, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2357
• a: 9.339 ± 0.002 Å
• b: 31.978 ± 0.008 Å
• c: 10.782 ± 0.003 Å
• α: 90°
• β: 106.813 ± 0.005°
• γ: 90°
• Cell volume: 3082.3 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No