Information card for entry 4313299

Structure parameters

• Formula: C36 H124 Br8 Fe4 N24 Ni4 O32
• Calculated formula: C36 H60 Br8 Fe4 N24 Ni4 O32.124
• 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: 13.961 ± 0.005 Å
• b: 13.961 ± 0.005 Å
• c: 12.822 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.1 ± 1.6 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 2 K
• Number of distinct elements: 7
• Space group number: 111
• Hermann-Mauguin space group symbol: P -4 2 m
• Hall space group symbol: P -4 2
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.1404
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No