Information card for entry 7125395

Structure parameters

• Formula: C320 H384 Cl48 Cu0 Fe56 N48 O120
• Calculated formula: C320 H384 Cl48 Fe56 N48 O120
• Title of publication: Development of a new Lindqvist-like Fe6 cluster secondary building unit for MOFs.
• Authors of publication: Lin, Li-Dan; Li, Zhong; Zhao, Dan; Liu, Jin-Hua; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 72
• Pages of publication: 10729 - 10732
• a: 22.375 ± 0.002 Å
• b: 23.965 ± 0.002 Å
• c: 27.502 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14747 ± 2 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 7
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No