Information card for entry 7708171

Structure parameters

• Formula: C24 H82 Ho I3 N12 O9 P4
• Calculated formula: C24 H82 Ho I3 N12 O9 P4
• Title of publication: Magnetic anisotropies of Ho(III) and Dy(III) single-molecule magnets experimentally determined via polarized neutron diffraction
• Authors of publication: Klahn, Emil Andreasen; Thiel, Andreas Munch; Degn, Rasmus B.; Kibalin, Iurii; Gukasov, Arsen; wilson, claire; Canaj, Angelos B.; Murrie, Mark; Overgaard, Jacob
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.2486 ± 0.001 Å
• b: 19.1836 ± 0.0014 Å
• c: 21.6652 ± 0.0018 Å
• α: 90°
• β: 106.281 ± 0.002°
• γ: 90°
• Cell volume: 5684.5 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No