Information card for entry 7720780

Structure parameters

• Common name: Zr-P2N2
• Formula: C160 H202 Cl2 N14 O28 P6 Zr6
• Calculated formula: C120 H114 Cl2.0001 N6 O20 P6 Zr6
• Title of publication: In or out? Adaptive metal binding by a diphosphine-based Zr metal-organic cage
• Authors of publication: Shin, Jiehye; Wade, Casey R.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 53.629 ± 0.009 Å
• b: 22.341 ± 0.003 Å
• c: 29.82 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35728 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No