Information card for entry 4346717

Structure parameters

• Formula: C6 H16 Cl4 N2 Ta
• Calculated formula: C6 H16 Cl4 N2 Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)(Cl)[N](CC[N]1(C)C)(C)C
• Title of publication: Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).
• Authors of publication: Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 10081 - 10095
• a: 14.503 ± 0.003 Å
• b: 7.4837 ± 0.0014 Å
• c: 11.782 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1278.8 ± 0.4 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No