Information card for entry 4342383

Structure parameters

• Formula: C28 H48 N2 Na O6 Ta
• Calculated formula: C28 H48 N2 Na O6 Ta
• SMILES: [TaH2]12345678([cH]9[cH]2[cH]7[cH]1[cH]49)[cH]1[cH]5[cH]3[cH]6[cH]81.[Na]123456[O]7CC[N]86CC[O]4CC[O]2CCN(CC[O]3CC[O]1CC8)CC[O]5CC7
• 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: 11.821 ± 0.005 Å
• b: 11.84 ± 0.005 Å
• c: 12.775 ± 0.005 Å
• α: 71.661 ± 0.009°
• β: 83.878 ± 0.009°
• γ: 60.513 ± 0.009°
• Cell volume: 1474.8 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No