Information card for entry 7714324

Structure parameters

• Formula: C24 H24 Cl2 Cu N4 O9
• Calculated formula: C24 H24 Cl2 Cu N4 O9
• SMILES: [Cu]1234[O](CC[N]1(Cc1[n]2cccc1)Cc1[n]3c2ccccc2cc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Evaluation of oxygen-containing pentadentate ligands with pyridine/quinoline/isoquinoline binding sites via structural and electrochemical properties of mononuclear copper(II) complexes
• Authors of publication: Mikata, Yuji; Uchida, Mizuho; Koike, Hinata; Shoji, Sunao; Ohsedo, Yutaka; Kawai, Yasushi; Matsuo, Takashi
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.9204 ± 0.0011 Å
• b: 10.876 ± 0.0014 Å
• c: 14.6803 ± 0.0019 Å
• α: 74.81 ± 0.005°
• β: 77.611 ± 0.006°
• γ: 70.889 ± 0.005°
• Cell volume: 1285.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No