Information card for entry 4343294

Structure parameters

• Formula: C84 H174 Cu6 Gd6 N8 O48 P6
• Calculated formula: C84 H174 Cu6 Gd6 N8 O48 P6
• Title of publication: Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.
• Authors of publication: Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Pages of publication: 150610150327001
• a: 35.8449 ± 0.0003 Å
• b: 39.1793 ± 0.0004 Å
• c: 45.6982 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 64177.6 ± 1 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No