Information card for entry 4133566

Structure parameters

• Formula: C124 H172 Li2 N6 O2 P4 Zr2
• Calculated formula: C124 H172 Li2 N6 O2 P4 Zr2
• Title of publication: Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.
• Authors of publication: Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17399 - 17403
• a: 14.569 ± 0.002 Å
• b: 14.569 ± 0.002 Å
• c: 27.444 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5825.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No