Information card for entry 7717085

Structure parameters

• Formula: C30.75 H32.25 Cl2 Cu N5 O8.88
• Calculated formula: C30.75 H32.25 Cl2 Cu N5 O8.875
• 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: 8.1238 ± 0.0002 Å
• b: 37.8829 ± 0.0008 Å
• c: 41.6362 ± 0.0012 Å
• α: 90°
• β: 92.788 ± 0.002°
• γ: 90°
• Cell volume: 12798.5 ± 0.6 ų
• Cell temperature: 150.01 ± 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: 0.1167
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No