Information card for entry 1557636

Structure parameters

• Formula: C21 H27 N3 O12 Tb
• Calculated formula: C21 H27 N3 O12 Tb
• Title of publication: Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks
• Authors of publication: Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 4164 - 4170
• a: 10.4608 ± 0.0008 Å
• b: 10.9006 ± 0.001 Å
• c: 12.5293 ± 0.001 Å
• α: 104.61 ± 0.005°
• β: 107.84 ± 0.004°
• γ: 97.204 ± 0.004°
• Cell volume: 1283.78 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.72 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: 0.0211
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No