Information card for entry 2010861

Structure parameters

• Chemical name: [Chlorocobalt(III)(μ-C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O:O')trichlorozinc(II)]
• Formula: C18 H37 Cl4 Co N4 O2 Zn
• Calculated formula: C18 H37 Cl4 Co N4 O2 Zn
• SMILES: [Co]1234(Cl)[N]5([C@@H](CC([NH]1CC[NH]2[C@H](CC([NH]3CC5)(C)C)C)(C)C)C)CC(O4)=[O][Zn](Cl)(Cl)Cl.[Co]1234(Cl)[N]5([C@H](CC([NH]1CC[NH]2[C@@H](CC([NH]3CC5)(C)C)C)(C)C)C)CC(O4)=[O][Zn](Cl)(Cl)Cl
• Title of publication: (μ-<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>-acetato-1κ^5^<i>N,N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>:2κ<i>O</i>')tetrachloro-1κ<i>Cl</i>,2κ^3^<i>Cl</i>-cobalt(III)zinc(II)
• 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: 4
• Pages of publication: e128 - e129
• a: 10.242 ± 0.001 Å
• b: 10.874 ± 0.002 Å
• c: 23.168 ± 0.005 Å
• α: 92.5 ± 0.02°
• β: 100.39 ± 0.02°
• γ: 97.6 ± 0.02°
• Cell volume: 2509.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No