Information card for entry 4316345

Structure parameters

• Formula: C96 H134 Co8 N18 O26 S8
• Calculated formula: C96 H116 Co8 N18 O25.998 S8
• Title of publication: Three p-tert-Butylthiacalix[4]arene-Supported Cobalt Compounds Obtained in One Pot Involving In Situ Formation of N6H2 Ligand
• Authors of publication: Yanfeng Bi; Wuping Liao; Guancheng Xu; Ruiping Deng; Meiyan Wang; Zhijian Wu; Song Gao; Hongjie Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7735 - 7740
• a: 21.0575 ± 0.0008 Å
• b: 43.5121 ± 0.0016 Å
• c: 12.9662 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11880.4 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 42
• Hermann-Mauguin space group symbol: F m m 2
• Hall space group symbol: F 2 -2
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No