Information card for entry 4111382

Structure parameters

• Formula: C48 H62 N6 P2 Si4 Ta2
• Calculated formula: C48 H62 N6 P2 Si4 Ta2
• SMILES: [Ta]1234([Ta]56([P](C[Si](C)(N6c6ccccc6)C)(C[Si](N5c5ccccc5)(C)C)c5ccccc5)(=N1)N=2)[P](C[Si](N4c1ccccc1)(C)C)(C[Si](N3c1ccccc1)(C)C)c1ccccc1
• Title of publication: Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine
• Authors of publication: Michael P. Shaver; Michael D. Fryzuk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 500 - 501
• a: 11.6976 ± 0.0011 Å
• b: 19.494 ± 0.0011 Å
• c: 23.2595 ± 0.0015 Å
• α: 90°
• β: 90.216 ± 0.004°
• γ: 90°
• Cell volume: 5303.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1225
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No