Information card for entry 4300544

Structure parameters

• Formula: C20 H17 Cu N3 O4
• Calculated formula: C20 H17 Cu N3 O4
• SMILES: [Cu]12([O]=C(C)C=C(O1)C)n1c(C(c3ccc(N(=O)=O)cc3)c3n2ccc3)ccc1
• Title of publication: Linking Heteroleptic Cu(II) Dipyrromethene Complexes via Hydrogen Bonds, Coordinative Bonds and Covalent Bonds
• Authors of publication: Heinze, Katja; Reinhart, Anja
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 13.917 ± 0.003 Å
• b: 8.955 ± 0.0018 Å
• c: 14.856 ± 0.003 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 1848.5 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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