Information card for entry 7717084

Structure parameters

• Formula: C27 H29 Cl2 Cu N5 O8
• Calculated formula: C27 H29 Cl2 Cu N5 O8
• 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: 14.5386 ± 0.0019 Å
• b: 18.525 ± 0.003 Å
• c: 21.715 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5848.4 ± 1.5 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No