Information card for entry 4342650

Structure parameters

• Formula: C122 H138 Dy4 Fe4 N4 O33
• Calculated formula: C122 H138 Dy4 Fe4 N4 O33
• Title of publication: Developing a "Highway Code" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters.
• Authors of publication: Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3218 - 3227
• a: 16.1438 ± 0.0006 Å
• b: 21.3375 ± 0.0005 Å
• c: 36.2966 ± 0.0014 Å
• α: 90°
• β: 90.331 ± 0.003°
• γ: 90°
• Cell volume: 12502.8 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0408
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No