Information card for entry 4342381

Structure parameters

• Formula: C22 H36 K O6 Ta
• Calculated formula: C22 H36 K O6 Ta
• SMILES: [TaH2]12345678([cH]9[cH]3[cH]4[cH]8[cH]79)[cH]3[cH]5[cH]2[cH]1[cH]63.[K]12345[O]6CC[O]2CC[O]3CC[O]1CC[O]5CC[O]4CC6
• 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: 11.139 ± 0.005 Å
• b: 9.791 ± 0.005 Å
• c: 22.628 ± 0.009 Å
• α: 90°
• β: 99.866 ± 0.009°
• γ: 90°
• Cell volume: 2431.4 ± 1.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No