Information card for entry 7720783

Structure parameters

• Common name: Zr-P2N2-Ag_masked_counteranions
• Formula: C188 H317 Ag6 Cl2 F36 N6 O54 P12 S34 Zr6
• Calculated formula: C124 H125 Ag6 Cl2 N6 O22 P6 S2 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: 21.0912 ± 0.0014 Å
• b: 40.752 ± 0.003 Å
• c: 26.4875 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22766 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 10
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1942
• Residual factor for significantly intense reflections: 0.1501
• Weighted residual factors for significantly intense reflections: 0.4673
• Weighted residual factors for all reflections included in the refinement: 0.519
• Goodness-of-fit parameter for all reflections included in the refinement: 2.238
• 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