Information card for entry 4110647

Structure parameters

• Formula: C51 H87 B2 Cl4 Cu3 Fe2 N27 O18
• Calculated formula: C51 H87 B2 Cl4 Cu3 Fe2 N27 O18
• Title of publication: Symmetry-Based Magnetic Anisotropy in the Trigonal Bipyramidal Cluster [Tp2(Me3tacn)3Cu3Fe2(CN)6]4+
• Authors of publication: Cai-Feng Wang; Jing-Lin Zuo; Bart M. Bartlett; You Song; Jeffrey R. Long; Xiao-Zeng You
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 7162 - 7163
• a: 12.522 ± 0.004 Å
• b: 27.459 ± 0.009 Å
• c: 25.613 ± 0.008 Å
• α: 90°
• β: 100.535 ± 0.006°
• γ: 90°
• Cell volume: 8658 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0846
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No