Information card for entry 4349687

Structure parameters

• Formula: C90 H113 Fe4 Ho2 N5 O26
• Calculated formula: C90 H113 Fe4 Ho2 N5 O26
• Title of publication: Systematic studies of hexanuclear {MIII4LnIII2} complexes (M = Fe, Ga; Ln = Er, Ho): structures, magnetic properties and SMM behavior
• Authors of publication: Chen, Sihuai; Mereacre, Valeriu; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 927
• a: 15.221 ± 0.004 Å
• b: 29.282 ± 0.005 Å
• c: 22.42 ± 0.005 Å
• α: 90°
• β: 108 ± 0.03°
• γ: 90°
• Cell volume: 9504 ± 4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No