Information card for entry 7251090

Structure parameters

• Formula: C162 H84 Gd4 N24 O25
• Calculated formula: C162 H84 Gd4 N24 O25
• 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: 42.346 ± 0.006 Å
• b: 42.346 ± 0.006 Å
• c: 33.254 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 59631 ± 17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No