Information card for entry 7122446

Structure parameters

• Formula: C257 H240 F15 Fe4 N36 O27 S5
• Calculated formula: C257 H240 F15 Fe4 N36 O27 S5
• Title of publication: Tetrahedral metal-organic cages with cube-like cavities for selective encapsulation of fullerene guests and their spin-crossover properties.
• Authors of publication: Han, Wang-Kang; Zhang, Hai-Xia; Wang, Yong; Liu, Wei; Yan, Xiaodong; Li, Tao; Gu, Zhi-Guo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 89
• Pages of publication: 12646 - 12649
• a: 20.155 ± 0.0011 Å
• b: 20.4279 ± 0.0011 Å
• c: 20.6157 ± 0.001 Å
• α: 114.452 ± 0.002°
• β: 109.472 ± 0.001°
• γ: 91.124 ± 0.002°
• Cell volume: 7160.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No