Information card for entry 4315535

Structure parameters

• Formula: C37 H56 Cl N4 O2 Ta
• Calculated formula: C37 H56 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(C)C)[NH](C)C
• 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: 34.7022 ± 0.0012 Å
• b: 9.2582 ± 0.0003 Å
• c: 23.1835 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7448.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No