Information card for entry 7107719

Structure parameters

• Formula: C478 H592 Cu36 Gd24 N30 O289
• Calculated formula: C464 H446 Cu36 Gd24 N24 O230
• Title of publication: Unique Nanoscale {CuII36LnIII24} (Ln = Dy and Gd) Metallo-rings
• Authors of publication: Ji-Dong Leng; Jun-Liang Liu; Ming-Liang Tong
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5286
• a: 20.779 ± 0.003 Å
• b: 31.7 ± 0.005 Å
• c: 31.802 ± 0.005 Å
• α: 68.777 ± 0.002°
• β: 74.614 ± 0.002°
• γ: 87.823 ± 0.003°
• Cell volume: 18788 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No