Information card for entry 2011005

Structure parameters

• Chemical name: (12-hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O,O')cobalt(III) Chloride Perchlorate Monohydrate
• Formula: C18 H39 Cl2 Co N4 O8
• Calculated formula: C18 H39 Cl2 Co N4 O8
• Title of publication: (12-Hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>,<i>O</i>')cobalt(III) chloride perchlorate monohydrate
• Authors of publication: Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 659 - 660
• a: 10.789 ± 0.003 Å
• b: 8.918 ± 0.002 Å
• c: 25.847 ± 0.004 Å
• α: 90°
• β: 91.79 ± 0.02°
• γ: 90°
• Cell volume: 2485.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes