Information card for entry 4519048

Structure parameters

• Formula: C33 H20 N6 O9 Tb
• Calculated formula: C33 H20 N6 O9 Tb
• Title of publication: Multifunctional Two-Dimensional Metal-Organic Frameworks for Radionuclide Sequestration and Detection.
• Authors of publication: Surbella, 3rd, Robert G; Reilly, Dallas D.; Sinnwell, Michael A.; McNamara, Bruce K.; Sweet, Lucas E.; Schwantes, Jon M.; Thallapally, Praveen K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 38
• Pages of publication: 45696 - 45707
• a: 8.6105 ± 0.0003 Å
• b: 13.6163 ± 0.0005 Å
• c: 13.6664 ± 0.0005 Å
• α: 81.833 ± 0.001°
• β: 81.442 ± 0.001°
• γ: 79.354 ± 0.001°
• Cell volume: 1546.32 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No