Information card for entry 4300720

Structure parameters

• Formula: C36 H56 Cu6 N20 O32
• Calculated formula: C36 H56 Cu6 N20 O32
• SMILES: [O]12CC(=O)O[Cu]2([OH2])(n2c[n]3c4c2c(nc[n]4[Cu]245([OH2])[Cu]3([OH2])(n3cnc(c6c3[n]2c[n]6[Cu]23([O](CC(=O)O2)CC(=O)O3)[OH2])N)(n2cnc(c3c2[n]5c[n]3[Cu]23([O](CC(=O)O2)CC(=O)O3)[OH2])N)[n]2c3c(n([Cu]56([O](CC(=O)O5)CC(=O)O6)[OH2])c2)c(nc[n]43)N)N)OC(=O)C1.O.O.O.O.O.O
• Authors of publication: González-Pérez, Josefa María; Alarcón-Payer, Carolina; Castiñeiras, Alfonso; Pivetta, Tiziana; Lezama, Luis; Choquesillo-Lazarte, Duane; Crisponi, Guido; Niclós-Gutiérrez, Juan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 15.203 ± 0.002 Å
• b: 10.2445 ± 0.0013 Å
• c: 19.094 ± 0.002 Å
• α: 90°
• β: 101.613 ± 0.003°
• γ: 90°
• Cell volume: 2913 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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