Information card for entry 7135004

Structure parameters

• Formula: C58 H33 N14 O8.5 Pd Zn3
• Calculated formula: C58 H33 N14 O8.5 Pd Zn3
• 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: 33.8282 ± 0.0006 Å
• b: 10.4006 ± 0.0002 Å
• c: 43.8964 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15444.2 ± 0.5 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.3503
• Weighted residual factors for all reflections included in the refinement: 0.3716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.681
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No