Information card for entry 7125607

Structure parameters

• Formula: C117 H110 Cu2 F60 N8 O32 Tb2
• Calculated formula: C110 H94 Cu2 F60 N8 O32 Tb2
• Title of publication: Nitronyl nitroxide-metal complexes as metallo-ligands for the construction of hetero-tri-spin (2p-3d-4f) chains.
• Authors of publication: Zhu, Mei; Mei, Xuelan; Ma, Yue; Li, Licun; Liao, Daizheng; Sutter, Jean-Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 1906 - 1908
• a: 21.853 ± 0.002 Å
• b: 23.682 ± 0.002 Å
• c: 28.76 ± 0.003 Å
• α: 90°
• β: 100.782 ± 0.002°
• γ: 90°
• Cell volume: 14621 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No