Information card for entry 4316346

Structure parameters

• Formula: C164 H192 Co10 N12 O20 S16
• Calculated formula: C164 H176 Co10 N12 O20 S16
• 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: 13.9395 ± 0.0004 Å
• b: 18.7983 ± 0.0006 Å
• c: 19.721 ± 0.0006 Å
• α: 65.54°
• β: 73.631 ± 0.001°
• γ: 70.897 ± 0.001°
• Cell volume: 4380.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No