Information card for entry 4100487

Structure parameters

• Formula: C39 H48 Cu2 N11 O15 P
• Calculated formula: C39 H46 Cu2 N11 O15 P
• SMILES: C1C#CC[N]23Cc4cccc5C[N]67CC#CC[N]89Cc%10cccc%11C[N]%121Cc1cccc(C8)[n]1[Cu]9%12([n]%10%11)(OP(=[O][Cu]37([n]1c(C2)cccc1C6)[n]45)(OC)OC)ON(=O)=O.CO.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex
• Authors of publication: M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Pages of publication: 15061
• a: 14.5986 ± 0.0016 Å
• b: 20.862 ± 0.002 Å
• c: 28.726 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8748.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No