Information card for entry 7241540

Structure parameters

• Formula: C76 H111 Ge12 N16 Nd11 O84
• Calculated formula: C76 H72 Ge12 N16 Nd11 O80
• Title of publication: Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution
• Authors of publication: Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 27.547 ± 0.005 Å
• b: 19.086 ± 0.004 Å
• c: 27.056 ± 0.005 Å
• α: 90°
• β: 103.12 ± 0.002°
• γ: 90°
• Cell volume: 13854 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No