Information card for entry 4100363

Structure parameters

• Formula: C39 H53 Cl2 N8 Na O5 S
• Calculated formula: C39 H53 Cl2 N8 Na O5 S
• SMILES: S(=O)(=O)(c1cc2c(C(=O)c3ccccc3C2=O)cc1)[O-].C1C[N]23CC[N]4(CC3)[Na]3562[N]27CCN(CC4)CC[N]46CC[N]5(CCN1CC[N]3(CC2)CC7)CC4.C(Cl)Cl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.539 ± 0.002 Å
• b: 12.555 ± 0.003 Å
• c: 16.466 ± 0.003 Å
• α: 83.57 ± 0.03°
• β: 80.09 ± 0.03°
• γ: 82.23 ± 0.03°
• Cell volume: 2117.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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