Information card for entry 7051112

Structure parameters

• Formula: C142 H145 N10 Na5 O38 Zn2
• Calculated formula: C130 H92 N10 Na5 O26 Zn2
• SMILES: [n]12c3C(=c4n5c(=C(c6[n]7c(=C(c8n(c(C(=c1cc3)c1ccc(cc1)C(=O)O)cc8)[Zn]257[n]1ccccc1)c1ccc(cc1)C(=O)O)cc6)c1ccc(cc1)C(=O)[O-])cc4)c1ccc(cc1)C(=O)[O-].c1cc[n](cc1)[Zn]123[n]4c5C(=c6n3c(=C(c3[n]2c(=C(c2n1c(C(=c4cc5)c1ccc(cc1)C(=O)O)cc2)c1ccc(cc1)C(=O)O)cc3)c1ccc(cc1)C(=O)O)cc6)c1ccc(cc1)C(=O)[O-].[Na+].[Na+].[Na]1234567[O]8c9ccccc9[O]1CC[O]2CC[O]3CC[O]4c1ccccc1[O]5CC[O]6CC[O]7CC8.[OH-].[Na+].[Na+].[OH-]
• Authors of publication: Diskin-Posner, Yael; Goldberg, I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 899 - 904
• a: 30.715 ± 0.0005 Å
• b: 13.796 ± 0.0003 Å
• c: 33.555 ± 0.0008 Å
• α: 90°
• β: 92.799 ± 0.0006°
• γ: 90°
• Cell volume: 14201.8 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No