Information card for entry 7718601

Structure parameters

• Chemical name: CuAntPTDO
• Formula: C72 H86 Cu2 N12 O24 S2
• Calculated formula: C42 H16 Cu2 N2 O14 S2
• 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: 29.1655 ± 0.0005 Å
• b: 29.1655 ± 0.0005 Å
• c: 31.1656 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22958.6 ± 0.8 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: 0.0509
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.4135 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No