Information card for entry 4323200

Structure parameters

• Formula: C24 H22 Cu N4 O9
• Calculated formula: C24 H22 Cu N4 O9
• SMILES: [Cu]123N(C(=O)C(=O)O2)c2c(N3C(=O)C(=O)O1)cccc2.[n+]12cccc3c1c1[n+](cccc1cc3)CC2.O.O.O
• Title of publication: Ion-Pair Charge-Transfer Complexes Based on (o-Phenylenebis(oxamato))cuprate(II) and Cyclic Diquaternary Cations of 1,10-Phenanthroline and 2,2'-Bipyridine: Synthesis, Crystal Structure, and Physical Properties
• Authors of publication: Iosu Unamuno; Juan M. Gutiérrez-Zorrilla; Antonio Luque; Pascual Román; Luis Lezama; Rafael Calvo; Teófilo Rojo
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6452 - 6460
• a: 7.3216 ± 0.0013 Å
• b: 10.1756 ± 0.0009 Å
• c: 16.489 ± 0.0016 Å
• α: 107.786 ± 0.008°
• β: 94.79 ± 0.01°
• γ: 104.16 ± 0.01°
• Cell volume: 1117.4 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections: 1.76
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No