Information card for entry 7107268

Structure parameters

• Formula: C120 H177.82 Cl0.68 N10.5 O26.82 Tb6
• Calculated formula: C117.52 H114 Cl0.48 N9.76 O24.9 Tb6
• Title of publication: Calix[4]arene-supported rare earth octahedra
• Authors of publication: Sergio Sanz; Ruaraidh D. McIntosh; Christine M. Beavers; Simon J. Teat; Marco Evangelisti; Euan K. Brechin; Scott J. Dalgarno
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1449
• a: 23.0676 ± 0.0007 Å
• b: 27.8648 ± 0.0008 Å
• c: 15.1771 ± 0.0005 Å
• α: 90°
• β: 129.074 ± 0.002°
• γ: 90°
• Cell volume: 7573.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No