Information card for entry 7117641

Structure parameters

• Common name: TCM-9
• Chemical name: Holmium-BETB MOF
• Formula: C36 H30 Ho N O11
• Calculated formula: C36 H15 Ho N O11
• Title of publication: Towards multifunctional lanthanide-based metal-organic frameworks
• Authors of publication: Gerard Tobin; Steve Comby; Nianyong Zhu; Rodolphe Clerac; Thorfinnur Gunnlaugsson; Wolfgang Schmitt
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13313
• a: 21.403 ± 0.006 Å
• b: 34.255 ± 0.009 Å
• c: 8.023 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5882 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.213
• Residual factor for significantly intense reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.3668
• Weighted residual factors for all reflections included in the refinement: 0.4213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.507
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No