Information card for entry 7705525

Structure parameters

• Formula: C16 H12 Cl Cu F N3 O S
• Calculated formula: C16 H12 Cl Cu F N3 O S
• SMILES: [Cu]1([N]2C(=Cc3[n]1cccc3)C(=O)N(C=2SC)c1ccccc1F)Cl
• Title of publication: Three types of copper derivatives formed by CuCl₂·2H₂O interaction with (<i>Z</i>)-3-aryl-2-(methylthio)-5-(pyridine-2-ylmethylene)-3,5-dihydro-4<i>H</i>-imidazol-4-ones.
• Authors of publication: Guk, Dmitry; Naumov, Alexei; Krasnovskaya, Olga; Tafeenko, Viktor; Moiseeeva, Anna; Pergushov, Vladimir; Melnikov, Michail; Zyk, Nikolai; Majouga, Alexander; Belolglazkina, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14528 - 14535
• a: 28.4118 ± 0.0008 Å
• b: 9.2731 ± 0.0003 Å
• c: 13.7925 ± 0.0005 Å
• α: 90°
• β: 111.241 ± 0.001°
• γ: 90°
• Cell volume: 3386.98 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No