Information card for entry 4315537

Structure parameters

• Formula: C25 H43 Cl N5 Si2 Ta
• Calculated formula: C25 H43 Cl N5 Si2 Ta
• SMILES: [Ta]12(Cl)(N([Si](C)(C)C)CCC[N]1(CCCN2[Si](C)(C)C)C)=NN(c1ccccc1)c1ccccc1
• 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: 8.1959 ± 0.0004 Å
• b: 10.4496 ± 0.0005 Å
• c: 34.5115 ± 0.0014 Å
• α: 90°
• β: 94.059 ± 0.002°
• γ: 90°
• Cell volume: 2948.3 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.754
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No