Information card for entry 1566966

Structure parameters

• Formula: C37 H54 N5 O3 Ta
• Calculated formula: C37 H54 N5 O3 Ta
• Title of publication: Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations
• Authors of publication: Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 10.178 ± 0.0003 Å
• b: 12.1307 ± 0.0004 Å
• c: 15.7705 ± 0.0005 Å
• α: 91.362 ± 0.002°
• β: 90.315 ± 0.003°
• γ: 114.43 ± 0.003°
• Cell volume: 1772.04 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No