Information card for entry 7705527

Structure parameters

• Formula: C16 H12 Cl2 Cu F N3 O S
• Calculated formula: C16 H12 Cl2 Cu F N3 O S
• SMILES: [Cu]1(Cl)(Cl)[n]2ccccc2C=C2[N]1=C(SC)N(C2=O)c1ccc(F)cc1
• 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: 46.817 ± 0.001 Å
• b: 20.7265 ± 0.0005 Å
• c: 7.2786 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7062.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No