Information card for entry 7001183

Structure parameters

• Formula: C2 H6 Er N O9 S
• Calculated formula: C2 H2 Er N O9 S
• Title of publication: Five related metal‒organic frameworks constructed from [Ln2(SO4)2(H2O)n]2+ units and oxalate or acetate ligands
• Authors of publication: Liu, Hsiao-Chan; Chen, I-Han; Huang, Anny; Huang, Sin-Chiang; Hsu, Kuei-Fang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3447 - 3456
• a: 6.4752 ± 0.0009 Å
• b: 8.4502 ± 0.0012 Å
• c: 13.627 ± 0.002 Å
• α: 90°
• β: 93.028 ± 0.003°
• γ: 90°
• Cell volume: 744.58 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No