Information card for entry 7251087

Structure parameters

• Formula: C29 H24 N5 O4.5
• Calculated formula: C29 H24 N5 O4.5
• 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: 33.386 ± 0.007 Å
• b: 11.052 ± 0.002 Å
• c: 14.922 ± 0.003 Å
• α: 90°
• β: 100.97 ± 0.03°
• γ: 90°
• Cell volume: 5405.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.093
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No