Information card for entry 7100133

Structure parameters

• Formula: C44 H28 Cu2 N8 O14
• Calculated formula: C44 H28 Cu2 N8 O14
• SMILES: c1cccc2[n]1[Cu]13([n]4c2cccc4c2[n]1cccc2)OC(=O)c1cc(cnc1)C(=O)O[Cu]12([n]4ccccc4c4cccc([n]14)c1[n]2cccc1)OC(=O)c1cc(C(=O)O3)cnc1.O.O.O.O.O.O
• Title of publication: Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs
• Authors of publication: George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.263 ± 0.003 Å
• b: 10.844 ± 0.003 Å
• c: 12.754 ± 0.004 Å
• α: 113.383 ± 0.005°
• β: 93.11 ± 0.005°
• γ: 111.129 ± 0.005°
• Cell volume: 1067.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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