Information card for entry 4313301

Structure parameters

• Formula: C72 H192 Br12 Cr8 N48 Ni6 O36
• Calculated formula: C72 H120 Br11.98 Cr8 N48 Ni6 O35.94
• 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: 19.4834 ± 0.0002 Å
• b: 19.4834 ± 0.0002 Å
• c: 37.3386 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12274.9 ± 0.3 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.2032
• Weighted residual factors for significantly intense reflections: 0.1811
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No