Information card for entry 7718172

Structure parameters

• Formula: C18 H27 Cl3 Cu1.5 N7
• Calculated formula: C18 H27 Cl3 Cu1.5 N7
• Title of publication: Cationic-anionic complexes of Cu(II) and Co(II) with <i>N</i>-scorpionate ligand - structure, spectroscopy, and catecholase activity.
• Authors of publication: Zienkiewicz-Machnik, Małgorzata; Luboradzki, Roman; Mech-Piskorz, Justyna; Angulo, Gonzalo; Nogala, Wojciech; Ratajczyk, Tomasz; Aleshkevych, Pavlo; Kubas, Adam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5268 - 5285
• a: 13.5359 ± 0.0002 Å
• b: 11.7557 ± 0.0002 Å
• c: 29.3343 ± 0.0005 Å
• α: 90°
• β: 101.057 ± 0.002°
• γ: 90°
• Cell volume: 4581.14 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No