Information card for entry 4116859

Structure parameters

• Formula: C60 H74 N6 P2 Si4 Ta2
• Calculated formula: C60 H68 N6 P2 Si4 Ta2
• SMILES: [Ta]1234([Ta]56([P](C[Si](N5c5ccccc5)(C)C)(C[Si](N6c5ccccc5)(C)C)c5ccccc5)[N]3=N4)[P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: New Mode of Coordination for the Dinitrogen Ligand: A Dinuclear Tantalum Complex with a Bridging N2 Unit That Is Both Side-On and End-On
• Authors of publication: Michael D. Fryzuk; Samuel A. Johnson; Steven J. Rettig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 11024 - 11025
• a: 12.929 ± 0.0007 Å
• b: 15.1174 ± 0.0001 Å
• c: 32.5768 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6367.2 ± 0.4 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections: 1.776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.776
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No