Information card for entry 4313300

Structure parameters

• Formula: C9 H47 Br6 Fe N6 Ni3 O16
• Calculated formula: C9 H15 Br6 Fe N6 Ni3 O15.724
• Title of publication: High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes
• Authors of publication: Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1403 - 1419
• a: 11.8248 ± 0.0008 Å
• b: 14.7418 ± 0.001 Å
• c: 21.5191 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3751.2 ± 0.4 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1556
• Weighted residual factors for significantly intense reflections: 0.1365
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No