Information card for entry 7718607

Structure parameters

• Formula: C66 H86 N12 O24 S2 Zn2
• Calculated formula: C36 H16 N2 O14 S2 Zn2
• Title of publication: Phenothiazine-dioxide-based Cu-MOFs: preserving porosity through the incorporation of substituents into organic linkers.
• Authors of publication: Sugamata, Koh; Furukawa, Riko; Amanokura, Natsuki; Minoura, Mao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8813 - 8818
• a: 29.3296 ± 0.0019 Å
• b: 29.3296 ± 0.0019 Å
• c: 30.881 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23006 ± 3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233.15 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.4134 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No