Information card for entry 7717837

Structure parameters

• Formula: C44 H36 B2 Cl4 I N12 O6 Pr
• Calculated formula: C44 H36 B2 Cl4 I N12 O6 Pr
• Title of publication: A rare case of a zero-field single-ion magnet in a cerium(III) pseudo-icosahedral complex.
• Authors of publication: Thomas, Jarrod R.; Giansiracusa, Marcus J.; Mifsud, Jonathan T.; Mole, Richard A.; Sulway, Scott A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3071 - 3078
• a: 11.0573 ± 0.0005 Å
• b: 11.3637 ± 0.0005 Å
• c: 11.8627 ± 0.0006 Å
• α: 72.195 ± 0.002°
• β: 69.94 ± 0.002°
• γ: 63.419 ± 0.002°
• Cell volume: 1231.4 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No