Information card for entry 7042773

Structure parameters

• Formula: C102 H142 Cr2 Dy2 N22 Ni4 O34
• Calculated formula: C102 H96 Cr2 Dy2 N22 Ni4 O34
• 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: 16.818 ± 0.003 Å
• b: 22.639 ± 0.003 Å
• c: 19.369 ± 0.003 Å
• α: 90°
• β: 105.455 ± 0.002°
• γ: 90°
• Cell volume: 7107.9 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No