Information card for entry 7718605

Structure parameters

• Formula: C52 H60 Cu2 N8 O20 S2
• Calculated formula: C34 H18 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: 29.8395 ± 0.001 Å
• b: 29.8395 ± 0.001 Å
• c: 43.3839 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 33453.6 ± 1.8 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233.15 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.4136 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No