Information card for entry 7100705

Structure parameters

• Formula: C28 H56 Cl4 Cu4 N12 O22
• Calculated formula: C28 H52 Cl4 Cu4 N12 O22
• SMILES: CC1C(C)=[N]2CC[NH]3CC[NH]4CC[N]5=C(C(C)=[N]6O[Cu]78[N](=C(C(=[N]7CC[NH]8CC[NH]7CC[N]8=C(C(C)=[N]9O[Cu]23[N]=1O[Cu]789)C)C)C)O[Cu]456)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Structure and Properties of a New Double-Stranded [CuII2]2 Cluster Helicate
• Authors of publication: Debashis Ray; Guillem Aromi; Manindranath Bera; Wing-tak Wong
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 22.032 ± 0.004 Å
• b: 13.538 ± 0.002 Å
• c: 16.99 ± 0.003 Å
• α: 90°
• β: 100.96 ± 0.01°
• γ: 90°
• Cell volume: 4975.2 ± 1.5 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No