Information card for entry 4315533

Structure parameters

• Formula: C22 H20 Cl N2 Ta
• Calculated formula: C22 H20 Cl N2 Ta
• SMILES: [Ta]12345678(Cl)(=NN(c9ccccc9)c9ccccc9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: (dme)MCl3(NNPh2) (dme = dimethoxyethane; M = Nb, Ta): A Versatile Synthon for [Ta=NNPh2] Hydrazido(2-) Complexes
• Authors of publication: Ian A. Tonks; John E. Bercaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4648 - 4656
• a: 19.1261 ± 0.0008 Å
• b: 10.2503 ± 0.0004 Å
• c: 19.2383 ± 0.0008 Å
• α: 90°
• β: 100.72 ± 0.002°
• γ: 90°
• Cell volume: 3705.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0397
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.495
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No