Information card for entry 7707854

Structure parameters

• Formula: C94 H78 Cu2 F60 N16 O28 Tb2
• Calculated formula: C94 H78 Cu2 F60 N16 O28 Tb2
• Title of publication: A metal-radical hetero-tri-spin SCM with methyl-pyrazole-nitronyl nitroxide bridges.
• Authors of publication: Huang, Xiaohui; Wang, Kang; Han, Jing; Xie, Junfang; Li, Licun; Sutter, Jean-Pascal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11992 - 11998
• a: 14.5042 ± 0.0005 Å
• b: 22.91 ± 0.0008 Å
• c: 25.2112 ± 0.0009 Å
• α: 112.959 ± 0.003°
• β: 94.439 ± 0.003°
• γ: 107.849 ± 0.003°
• Cell volume: 7154.8 ± 0.5 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No