Information card for entry 7717086

Structure parameters

• Formula: C35.5 H37 Cl3.5 Cu N5.5 O9
• Calculated formula: C35.5 H37 Cl3.5 Cu N5.5 O9
• Title of publication: Structural and electrochemical properties of mononuclear copper(II) complexes with pentadentate ethylenediamine-based ligands with pyridine/quinoline/isoquinoline/quinoxaline binding sites†
• Authors of publication: Mikata, Yuji; Akedo, Miyu; Hamamoto, Erina; Yoshida, Shoko; Shoji, Sunao; Ohsedo, Yutaka; Storr, Tim; Funahashi, Yasuhiro; Matsuo, Takashi
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 18.6631 ± 0.0005 Å
• b: 15.1459 ± 0.0003 Å
• c: 28.2417 ± 0.0009 Å
• α: 90°
• β: 105.021 ± 0.003°
• γ: 90°
• Cell volume: 7710.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 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: 0.1055
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No