Information card for entry 4346273

Structure parameters

• Formula: C109.5 H136.25 Er3 N14.75 Ni6 O36.5
• Calculated formula: C109.5 H136.25 Er3 N14.75 Ni6 O36.5
• Title of publication: Enneanuclear [Ni6Ln3] Cages: [Ln(III)3] Triangles Capping [Ni(II)6] Trigonal Prisms Including a [Ni6Dy3] Single-Molecule Magnet.
• Authors of publication: Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Inglis, Ross; Milios, Constantinos J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 7089 - 7095
• a: 15.069 ± 0.004 Å
• b: 15.26 ± 0.004 Å
• c: 26.385 ± 0.006 Å
• α: 93.92 ± 0.02°
• β: 92.63 ± 0.02°
• γ: 94.73 ± 0.02°
• Cell volume: 6024 ± 3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No