Information card for entry 4501398

Structure parameters

• Formula: C81 H99 N0 O62 Pr6
• Calculated formula: C81 H99 O62 Pr6
• Title of publication: Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies
• Authors of publication: Dai, Fangna; Sun, Di; Sun, Daofeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5670
• a: 19.869 ± 0.003 Å
• b: 19.869 ± 0.003 Å
• c: 27.47 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9392 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No