Information card for entry 7244557

Structure parameters

• Formula: C34 H21 Cl3 Cu N7 O6 Se2
• Calculated formula: C34 H21 Cl3 Cu N7 O6 Se2
• SMILES: [Cu]123[N]4=C([Se]CC[Se]C5=[N]2C(=Cc2[n]3cccc2)C(=O)N5c2ccc(Cl)cc2)N(C(=O)C4=Cc2[n]1cccc2)c1ccc(Cl)cc1.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue
• Authors of publication: Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 7133 - 7148
• a: 8.1846 ± 0.0004 Å
• b: 13.6156 ± 0.0007 Å
• c: 33.963 ± 0.001 Å
• α: 90°
• β: 93.899 ± 0.004°
• γ: 90°
• Cell volume: 3776 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No