Information card for entry 7704420

Structure parameters

• Formula: C80 H108 Dy3 N5 Ni5 O46
• Calculated formula: C80 H94 Dy3 N5 Ni5 O48
• Title of publication: Self-assembled octanuclear [Ni₅Ln₃] (Ln = Dy, Tb and Ho) complexes: synthesis, coordination induced ligand hydrolysis, structure and magnetism.
• Authors of publication: Bhanja, Avik; Moreno-Pineda, Eufemio; Herchel, Radovan; Wernsdorfer, Wolfgang; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7968 - 7976
• a: 22.13 ± 0.03 Å
• b: 23.55 ± 0.04 Å
• c: 20.35 ± 0.03 Å
• α: 90°
• β: 96.071 ± 0.017°
• γ: 90°
• Cell volume: 10546 ± 3 ų
• Cell temperature: 114 ± 2 K
• Ambient diffraction temperature: 114.51 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No