Information card for entry 7048819

Structure parameters

• Formula: C44 H56 Cl8 La4 N8 Na20 O48
• Calculated formula: C44 H56 Cl7.9996 La4 N8 Na20 O48
• Title of publication: Carbonate and phosphite encaged in the frameworks constructed by square lanthanum aminopolycarboxylates and sodium chlorides
• Authors of publication: Wang, Si-Yuan; Gao, Song; Dai, Jun-Wei; Shi, Yan-Ru; Dong, Xin; Weng, Weizheng; Zhou, Zhao-Hui
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 21.022 ± 0.0003 Å
• b: 21.022 ± 0.0003 Å
• c: 9.5449 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4218.13 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 125
• Hermann-Mauguin space group symbol: P 4/n b m
• Hall space group symbol: -P 4a 2b
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No