Information card for entry 4133565

Structure parameters

• Formula: C44 H62 N8 P2 Zr
• Calculated formula: C44 H62 N8 P2 Zr
• 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: 17.0256 ± 0.0008 Å
• b: 15.8891 ± 0.0007 Å
• c: 32.2683 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8729.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1009
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No