Information card for entry 7705524

Structure parameters

• Formula: C16 H13 Cl2 Cu F N3 O S
• Calculated formula: C16 H13 Cl2 Cu F N3 O S
• SMILES: [Cu](Cl)[Cl-].S(C1=NC(=C\c2[nH+]cccc2)/C(=O)N1c1ccc(F)cc1)C
• 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: 10.7555 ± 0.0003 Å
• b: 11.7896 ± 0.0003 Å
• c: 15.2935 ± 0.0005 Å
• α: 90°
• β: 108.304 ± 0.002°
• γ: 90°
• Cell volume: 1841.14 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No