Information card for entry 7051111

Structure parameters

• Formula: C64 H49 N4 Na O9 Zn
• Calculated formula: C48 H27 N4 Na O9 Zn
• SMILES: [n]12c3C(=c4n5c(=C(c6[n]7c(=C(c8n(c(C(=c1cc3)c1ccc(cc1)C(=O)O)cc8)[Zn]257[OH2])c1ccc(cc1)C(=O)O)cc6)c1ccc(cc1)C(=O)O)cc4)c1ccc(cc1)C(=O)[O-].[Na+]
• Authors of publication: Diskin-Posner, Yael; Goldberg, I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 10.864 ± 0.0007 Å
• b: 21.562 ± 0.0011 Å
• c: 45.165 ± 0.003 Å
• α: 90°
• β: 93.858 ± 0.002°
• γ: 90°
• Cell volume: 10555.9 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No