Information card for entry 7042768

Structure parameters

• Formula: C109 H153 Fe2 N25 Ni4 O34 Y2
• Calculated formula: C109 H143 Fe2 N25 Ni4 O34 Y2
• Title of publication: Metallocyclic Ni4Ln2M2 single-molecule magnets
• Authors of publication: Liu, Mei-Jiao; Hu, kong-Qiu; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.9854 ± 0.0008 Å
• b: 15.9047 ± 0.0007 Å
• c: 27.4868 ± 0.0011 Å
• α: 90°
• β: 128.541 ± 0.002°
• γ: 90°
• Cell volume: 6833.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.1129
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No