Information card for entry 7711449

Structure parameters

• Formula: C30 H76 Ce Cl N12 Ni5 O44
• Calculated formula: C30 H76 Ce Cl N12 Ni5 O44
• Title of publication: Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties
• Authors of publication: Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.999 ± 0.004 Å
• b: 11.999 ± 0.004 Å
• c: 26.786 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3340 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No