Information card for entry 4348966

Structure parameters

• Formula: C28.75 H33.5 N2 Ni3 O24 Yb
• Calculated formula: C28.75 H33.5 N2 Ni3 O24 Yb
• Title of publication: A family of fourteen soluble stable macrocyclic [NiII3LnIII] heterometallic 3d‒4f complexes
• Authors of publication: Feltham, Humphrey L. C.; Dhers, Sébastien; Rouzières, Mathieu; Clérac, Rodolphe; Powell, Annie K.; Brooker, Sally
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 982
• a: 13.9687 ± 0.0006 Å
• b: 13.0219 ± 0.0006 Å
• c: 24.2144 ± 0.0011 Å
• α: 90°
• β: 90.893 ± 0.001°
• γ: 90°
• Cell volume: 4404 ± 0.3 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No