Information card for entry 4315534

Structure parameters

• Formula: C50 H58 Cl N4 O2 Ta
• Calculated formula: C50 H58 Cl N4 O2 Ta
• SMILES: [Ta]12(Cl)(Oc3c(cc(cc3c3[n]2c(ccc3)c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=NN(c1ccccc1)c1ccccc1)[n]1ccccc1
• 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: 15.6102 ± 0.0008 Å
• b: 20.2128 ± 0.001 Å
• c: 15.7963 ± 0.0008 Å
• α: 90°
• β: 113.066 ± 0.003°
• γ: 90°
• Cell volume: 4585.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No