Information card for entry 7051460

Structure parameters

• Formula: C64 H67 K N4 O18 Zn
• Calculated formula: C64 H63 K N4 O18 Zn
• SMILES: [N]12=C3C(=C4N5C(=C(C6=[N]7C(=C(C8N(C(C(=C1C=C3)c1ccc(cc1)C(=O)O)=CC=8)[Zn]257[OH]C)c1ccc(cc1)C(=O)O)C=C6)c1ccc(cc1)C(=O)O)C=C4)c1ccc(cc1)C(=O)[O-].[K+]12345([O]9CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC9)([OH]C)[OH]C.OC
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 12.448 ± 0.001 Å
• b: 15.412 ± 0.001 Å
• c: 16.307 ± 0.001 Å
• α: 100.549 ± 0.01°
• β: 90.827 ± 0.01°
• γ: 100.268 ± 0.01°
• Cell volume: 3022.8 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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