Information card for entry 7717087

Structure parameters

• Formula: C42 H42 Cl2 Cu N6 O9
• Calculated formula: C42 H42 Cl2 Cu N6 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: 11.805 ± 0.003 Å
• b: 13.196 ± 0.004 Å
• c: 13.294 ± 0.004 Å
• α: 86.264 ± 0.007°
• β: 75.769 ± 0.006°
• γ: 88.616 ± 0.006°
• Cell volume: 2003 ± 1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0529
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No