Information card for entry 4313302

Structure parameters

• Formula: C76 H210 Br12 Cr8 N48 Ni6 O42
• Calculated formula: C76 H120 Br12 Cr8 N48 Ni6 O41.7
• 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: 34.1337 ± 0.0008 Å
• b: 19.4024 ± 0.0003 Å
• c: 27.1889 ± 0.0007 Å
• α: 90°
• β: 114.026 ± 0.001°
• γ: 90°
• Cell volume: 16446.5 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1276
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections: 0.233
• Weighted residual factors for significantly intense reflections: 0.2177
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No