Information card for entry 7135001

Structure parameters

• Formula: C106 H58 N18 O17 Pd2 Zn5
• Calculated formula: C106 H58 N18 O17 Pd2 Zn5
• Title of publication: Stacked, twisted, and porous: structural diversity in photoactive porphyrin-based metal-organic frameworks.
• Authors of publication: Kenny, Mitchell S.; Gładysiak, Andrzej; Lessard, Jacob M.; Pyle, Dylan; Stylianou, Kyriakos C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 95
• Pages of publication: 18906 - 18909
• a: 9.9191 ± 0.0002 Å
• b: 32.4889 ± 0.0007 Å
• c: 38.6916 ± 0.0009 Å
• α: 90°
• β: 95.533 ± 0.002°
• γ: 90°
• Cell volume: 12410.7 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.1402
• Weighted residual factors for significantly intense reflections: 0.4301
• Weighted residual factors for all reflections included in the refinement: 0.4441
• Goodness-of-fit parameter for all reflections included in the refinement: 2.231
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No