Information card for entry 7100315

Structure parameters

• Formula: C66 H82 Cl2 N6 O8 Pd
• Calculated formula: C66 H82 Cl2 N6 O8 Pd
• SMILES: [Pd](Cl)(Cl)([n]1c2COCc3ccc(OCCCCCCCCCCOc4ccc(COCc1ccc2)cc4)cc3)[N]#CC.C1NC(=O)c2nc(ccc2)C(=O)NCc2ccc(OCCCCCCCCCCOc3ccc1cc3)cc2.N#CC
• Title of publication: Half-rotation in a [2]catenane via interconvertible Pd(II) coordination modes
• Authors of publication: D.A. Leigh; Paul J. Lusby; Alexandra M.Z. Slawin; D.Barney Walker
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.8106 ± 0.0008 Å
• b: 25.305 ± 0.002 Å
• c: 26.82 ± 0.002 Å
• α: 73.971 ± 0.004°
• β: 82.771 ± 0.006°
• γ: 88.05 ± 0.006°
• Cell volume: 6348.3 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No