Information card for entry 7020492

Structure parameters

• Formula: C18 H18 Er N3 O13
• Calculated formula: C18 H8 Er N3 O13
• Title of publication: Structures and properties of lanthanide metal-organic frameworks based on a 1,2,3-triazole-containing tetracarboxylate ligand.
• Authors of publication: Sun, Libo; Li, Yi; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12790 - 12796
• a: 11.0484 ± 0.0004 Å
• b: 20.4845 ± 0.0008 Å
• c: 9.7494 ± 0.0004 Å
• α: 90°
• β: 108.898 ± 0.001°
• γ: 90°
• Cell volume: 2087.56 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No