Information card for entry 4133564

Structure parameters

• Formula: C49 H75 N3 P2 Zr
• Calculated formula: C49 H75 N3 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: 16.199 ± 0.004 Å
• b: 13.062 ± 0.003 Å
• c: 23.636 ± 0.006 Å
• α: 90°
• β: 96.243 ± 0.007°
• γ: 90°
• Cell volume: 4972 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No