Information card for entry 7707706

Structure parameters

• Formula: C74 H111 N2 O8 Tb
• Calculated formula: C74 H111 N2 O8 Tb
• Title of publication: Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.
• Authors of publication: Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 27
• Pages of publication: 9648 - 9654
• a: 23.8191 ± 0.0005 Å
• b: 16.0761 ± 0.0004 Å
• c: 21.0672 ± 0.0005 Å
• α: 90°
• β: 120.34 ± 0.001°
• γ: 90°
• Cell volume: 6962.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No