Information card for entry 7251089

Structure parameters

• Formula: C62 H48 Mg2 N10 O15
• Calculated formula: C62 H48 Mg2 N10 O15
• 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: 19.8544 ± 0.0003 Å
• b: 18.8871 ± 0.0002 Å
• c: 20.3096 ± 0.0003 Å
• α: 90°
• β: 111.172 ± 0.002°
• γ: 90°
• Cell volume: 7101.87 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No