Information card for entry 7718608

Structure parameters

• Formula: C49.5 H41.5 Cu2 N4.5 O12.5
• Calculated formula: C42 H24 Cu2 N2 O10
• 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: 36.468 ± 0.009 Å
• b: 16.549 ± 0.003 Å
• c: 23.765 ± 0.006 Å
• α: 90°
• β: 132.62 ± 0.04°
• γ: 90°
• Cell volume: 10554 ± 8 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.3146
• Weighted residual factors for all reflections included in the refinement: 0.3396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.4135 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No