Information card for entry 4300407

Structure parameters

• Formula: C27 H20 Cu Fe N9 O6
• Calculated formula: C27 H20 Cu Fe N9 O6
• SMILES: [Fe]12([n]3ccccc3C(=O)N1C(=O)c1[n]2cccc1)(C#N)(C#N)C#[N][Cu]12([OH2])[n]3ccccc3C(=O)N1C(=O)c1[n]2cccc1.O
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 10.6602 ± 0.001 Å
• b: 11.9053 ± 0.0013 Å
• c: 22.724 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No