Information card for entry 4308425

Structure parameters

• Formula: C68 H91 Cl4 Co4 N8 O30
• Calculated formula: C68 H91 Cl4 Co4 N8 O30
• SMILES: [Co]123456[Co]789([OH][Co]%10%11%12%13%14[Co]%15%16%17([OH]1)([O]%10c1c%10cc(cc1C=[N]%14[C@H]1[C@H]([N]%13=Cc%13c([O]%11%15)c(C=[N]%17[C@H]%11[C@H]([N]%16=C%10)CCCC%11)cc(c%13)C)CCCC1)C)O[C@H](O%12)C)([O]2c1c2cc(cc1C=[N]5[C@H]1[C@H]([N]6=Cc5c([O]37)c(cc(c5)C)C=[N]8[C@H]3[C@H]([N]9=C2)CCCC3)CCCC1)C)O[C@H](O4)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC.OC.OC
• Title of publication: Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
• Authors of publication: Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 232 - 241
• a: 16.97 ± 0.005 Å
• b: 19.821 ± 0.005 Å
• c: 23.093 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7768 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.3157
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.235
• 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: No
• Has Fobs: No