Information card for entry 7119863

Structure parameters

• Formula: C292 H330 F72 Fe4 N62 O24 P12 Pd12
• Calculated formula: C276 H306 F72 Fe4 N54 O24 P12 Pd12
• Title of publication: Programmable self-assembly of water-soluble organo-heterometallic cages [M12M'4L12] using 3-(3,5-dimethyl-1H-pyrazol-4-yl)pentane-2,4-dione (H2L).
• Authors of publication: Chen, Zi-Man; Cui, Yu; Jiang, Xuan-Feng; Tong, Jin; Yu, Shu-Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 4238 - 4241
• a: 25.6021 ± 0.0015 Å
• b: 26.9162 ± 0.0012 Å
• c: 36.6641 ± 0.0013 Å
• α: 68.991 ± 0.002°
• β: 73.112 ± 0.002°
• γ: 64.351 ± 0.003°
• Cell volume: 20985.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.8001 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No