Information card for entry 7230306

Structure parameters

• Formula: C26 H25 N6 O9 Tb
• Calculated formula: C26 H25 N6 O9 Tb
• Title of publication: A dual-functional luminescent Tb(iii) metal‒organic framework for the selective sensing of acetone and TNP in water
• Authors of publication: Goel, Nidhi; Kumar, Naresh
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 10746
• a: 10.4848 ± 0.0004 Å
• b: 10.6394 ± 0.0004 Å
• c: 13.7737 ± 0.0005 Å
• α: 109.254 ± 0.002°
• β: 100.428 ± 0.002°
• γ: 108.162 ± 0.002°
• Cell volume: 1307.48 ± 0.09 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No