Information card for entry 4343288

Structure parameters

• Formula: C107 H201 Cu4 Er9 N4 O55 P6
• Calculated formula: C107 H201 Cu4 Er9 N4 O55 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: 20.5114 ± 0.0003 Å
• b: 20.5114 ± 0.0003 Å
• c: 32.7097 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11917.8 ± 0.3 ų
• Cell temperature: 150.1 ± 0.1 K
• Ambient diffraction temperature: 150.1 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No