Information card for entry 4346718

Structure parameters

• Formula: C26 H48 Cl12 N4 Ta3
• Calculated formula: C26 H48 Cl12 N4 Ta3
• SMILES: C1[N](C)(C)[Ta]2(Cl)([N](C)(C1)C)(Cl)[Cl][Ta]1([N](C)(CC[N]1(C)C)C)(Cl)([Cl]2)Cl.Cc1ccccc1.Cl[Ta](Cl)(Cl)(Cl)([Cl-])[Cl-].Cc1ccccc1
• 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: 9.9737 ± 0.0006 Å
• b: 12.9792 ± 0.0009 Å
• c: 16.3112 ± 0.0009 Å
• α: 90°
• β: 101.266 ± 0.004°
• γ: 90°
• Cell volume: 2070.8 ± 0.2 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 5
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No