Information card for entry 7100456

Structure parameters

• Formula: C32 H36 Cl2 Cu N4 O7
• Calculated formula: C32 H36 Cl2 Cu N4 O7
• SMILES: [Cu]12([NH](Cc3c(ccc(c3)N(=O)=O)O1)[C@H](C)c1ccccc1)([NH](Cc1c(ccc(c1)N(=O)=O)O2)[C@H](C)c1ccccc1)[OH2].C(Cl)CCl
• Title of publication: Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules
• Authors of publication: Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 20.2834 ± 0.0012 Å
• b: 8.1769 ± 0.0005 Å
• c: 12.8766 ± 0.0007 Å
• α: 90°
• β: 128.648 ± 0.001°
• γ: 90°
• Cell volume: 1667.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No