Information card for entry 7251088

Structure parameters

• Formula: C27 H14 Cu1.5 N4 O5.5
• Calculated formula: C27 H14 Cu1.5 N4 O5.5
• Title of publication: Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures
• Authors of publication: Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 44
• Pages of publication: 7135 - 7145
• a: 32.051 ± 0.005 Å
• b: 32.051 ± 0.005 Å
• c: 28.537 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29315 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No