Information card for entry 4304605

Structure parameters

• Formula: C36 H57 Co2 I3 N8 O2
• Calculated formula: C36 H57.1 Co2 I3 N8 O2
• Title of publication: Anion Recognition of Chloride and Bromide by a Rigid Dicobalt(II) Cryptate
• Authors of publication: Jia-Mei Chen; Xiao-Mei Zhuang; Li-Zi Yang; Long Jiang; Xiao-Long Feng; Tong-Bu Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3158 - 3165
• a: 14.965 ± 0.002 Å
• b: 15.044 ± 0.002 Å
• c: 27.198 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6123.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No