Information card for entry 7240769

Structure parameters

• Formula: C21 H15 Er8 Na4 O50
• Calculated formula: C20.25 H14 Er8 Na4 O49
• Title of publication: Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks
• Authors of publication: Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.4441 ± 0.0002 Å
• b: 12.4441 ± 0.0002 Å
• c: 19.0521 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2950.32 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No