Information card for entry 7717081

Structure parameters

• Formula: C26 H27 Cl Cu F6 N5 O4 P
• Calculated formula: C26 H27 Cl Cu F6 N5 O4 P
• 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: 21.039 ± 0.01 Å
• b: 7.934 ± 0.004 Å
• c: 18.056 ± 0.009 Å
• α: 90°
• β: 110.078 ± 0.007°
• γ: 90°
• Cell volume: 2831 ± 2 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No