Information card for entry 4506276

Structure parameters

• Common name: SUMOF-6-Gd(as)
• Formula: C36 H18 Gd2 N6 O15
• Calculated formula: C36 H18 Gd2 N6 O15
• Title of publication: A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations
• Authors of publication: Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3243
• a: 25.6487 ± 0.0014 Å
• b: 15.1875 ± 0.0019 Å
• c: 17.0378 ± 0.0012 Å
• α: 90°
• β: 97.91 ± 0.006°
• γ: 90°
• Cell volume: 6573.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1561
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No