Information card for entry 4313303

Structure parameters

• Formula: C76 H198 Br12 Co8 Cu6 N48 O36
• Calculated formula: C78 H120 Br12.04 Co8 Cu6 N48 O34.02
• 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: 19.2757 ± 0.0013 Å
• b: 19.2757 ± 0.0013 Å
• c: 37.008 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11908.2 ± 1.5 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.174
• Weighted residual factors for significantly intense reflections: 0.1506
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No