Information card for entry 7720784

Structure parameters

• Common name: Zr-P2N2-PdCl2
• Formula: C170 H218 Cl8 N16 O30 P6 Pd3 Zr6
• Calculated formula: C130 H130 Cl8 N8 O22 P6 Pd3 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: 47.908 ± 0.004 Å
• b: 22.924 ± 0.002 Å
• c: 17.5652 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19291 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• 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