Information card for entry 7125394

Structure parameters

• Formula: C40 H48 Cl6 Cu Fe7 I N6 O17
• Calculated formula: C40 H48 Cl6 Cu Fe7 I N6 O17
• 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: 11.4027 ± 0.0018 Å
• b: 54.461 ± 0.008 Å
• c: 18.009 ± 0.003 Å
• α: 90°
• β: 112.514 ± 0.008°
• γ: 90°
• Cell volume: 10331 ± 3 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 8
• 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: 0.1313
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.249
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No