Information card for entry 4313295

Structure parameters

• Formula: C36 H120 Br8 Co4 N24 Ni4 O30
• Calculated formula: C36 H60 Br7.96 Co4 N24 Ni4 O30.07
• 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: 13.3041 ± 0.0003 Å
• b: 13.3041 ± 0.0003 Å
• c: 13.3041 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2354.81 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections: 0.2643
• Weighted residual factors for significantly intense reflections: 0.2511
• Goodness-of-fit parameter for all reflections: 1.182
• Goodness-of-fit parameter for significantly intense reflections: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No