Information card for entry 4315531

Structure parameters

• Formula: C65 H61 B F24 N7 Si2 Ta
• Calculated formula: C65 H61 B F24 N7 Si2 Ta
• SMILES: [Ta]12([N](C)(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)([n]1ccccc1)([n]1ccccc1)=NN(c1ccccc1)c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 22.065 ± 0.0016 Å
• b: 13.9417 ± 0.001 Å
• c: 24.4542 ± 0.0016 Å
• α: 90°
• β: 114.312 ± 0.004°
• γ: 90°
• Cell volume: 6855.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No