Information card for entry 4075856

Structure parameters

• Formula: C52 H73 Al N6 P2 Si4 Ta2
• Calculated formula: C52 H73 Al N6 P2 Si4 Ta2
• SMILES: [Ta]1234([TaH]56([P](C[Si](N6c6ccccc6)(C)C)(C[Si](N([Al](=[N]=3)(CC(C)C)[H]5)c3ccccc3)(C)C)c3ccccc3)=[N]=4)[P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)c1ccccc1
• Title of publication: Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement
• Authors of publication: MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3836
• a: 20.4244 ± 0.0005 Å
• b: 19.9666 ± 0.0005 Å
• c: 29.2898 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11944.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No