Information card for entry 7720583

Structure parameters

• Formula: C128 H176 Ho4 O24 P4
• Calculated formula: C128 H176 Ho4 O24 P4
• Title of publication: Cubane lanthanoid complexes with tridentate [O, P=O, O] coordination using tris(5-tert-butyl-2-hydroxyphenyl)-phosphine oxide ligands: synthesis, characterisation, and magnetic behaviour
• Authors of publication: Mangundu, Patrick; Ho, Curtis Craig; Mole, Richard; Korb, Marcus; Fuller, Rebecca Olivia
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 36.6346 ± 0.0006 Å
• b: 10.5685 ± 0.0002 Å
• c: 34.5274 ± 0.0006 Å
• α: 90°
• β: 103.025 ± 0.002°
• γ: 90°
• Cell volume: 13024.1 ± 0.4 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No