Information card for entry 4313304

Structure parameters

• Formula: C9 H32 Br2 Co2 N6 O8.5
• Calculated formula: C9 H15 Br2 Co2 N6 O8.5
• 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: 14.264 ± 0.002 Å
• b: 12.811 ± 0.002 Å
• c: 13.671 ± 0.002 Å
• α: 90°
• β: 107.173 ± 0.002°
• γ: 90°
• Cell volume: 2386.8 ± 0.6 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 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: 0.0754
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.1168
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No