Information card for entry 7714326

Structure parameters

• Formula: C28 H26 Cl2 Cu N4 O9
• Calculated formula: C28 H26 Cl2 Cu N4 O9
• 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: 19.122 ± 0.005 Å
• b: 8.046 ± 0.002 Å
• c: 19.183 ± 0.005 Å
• α: 90°
• β: 103.718 ± 0.003°
• γ: 90°
• Cell volume: 2867.2 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No