Information card for entry 4308424

Structure parameters

• Common name: am169
• Formula: C50 H44 Cl2 Cu2 N6 O10
• Calculated formula: C50 H44 Cl2 Cu2 N6 O10
• SMILES: [Cu]123([N]4[C@@H]([C@H]([N]3=Cc3c5[O]1[Cu]16([O]2c2c(C=4)cc(cc2C=[N]1[C@H](c1ccccc1)[C@H]([N]6=Cc5cc(c3)C)c1ccccc1)C)(OCl(=O)(=O)=O)[N]#CC)c1ccccc1)c1ccccc1)(OCl(=O)(=O)=O)[N]#CC
• 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: 9.6972 ± 0.0008 Å
• b: 10.4822 ± 0.0008 Å
• c: 45.648 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4640 ± 0.6 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: 0.0398
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No