Information card for entry 4506277

Structure parameters

• Common name: SUMOF-6-Gd(dry)
• 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: 27.0154 ± 0.0019 Å
• b: 11.5213 ± 0.0018 Å
• c: 16.995 ± 0.003 Å
• α: 90°
• β: 98.137 ± 0.01°
• γ: 90°
• Cell volume: 5236.5 ± 1.3 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: 0.18
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No