Information card for entry 7100172

Structure parameters

• Formula: C38 H36 Cu N6 O2
• Calculated formula: C38 H36 Cu N6 O2
• SMILES: [Cu]12(=C3N(C=CN3c3c(cc(cc3C)C)C)N=C(O1)c1ccccc1)=C1N(C=CN1c1c(cc(cc1C)C)C)N=C(O2)c1ccccc1
• Title of publication: Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex
• Authors of publication: A. Charette; Christopher Kendall; Claude Y. Legault
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.6331 ± 0.0002 Å
• b: 13.8447 ± 0.0002 Å
• c: 21.9638 ± 0.0004 Å
• α: 90°
• β: 91.223 ± 0.001°
• γ: 90°
• Cell volume: 3232.6 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No