Information card for entry 4116860

Structure parameters

• Formula: C33 H46 N2 P Si2 Ta
• Calculated formula: C33 H46 N2 P Si2 Ta
• SMILES: [Ta]12([P](C[Si](N1c1ccccc1)(C)C)(C[Si](N2c1ccccc1)(C)C)c1ccccc1)(C)(C)C.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: 22.1812 ± 0.0003 Å
• b: 8.6093 ± 0.0003 Å
• c: 18.0832 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3453.25 ± 0.14 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections: 1.71
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No