Information card for entry 7244556

Structure parameters

• Formula: C13 H12 N3 O Se
• Calculated formula: C13 H12 N3 O Se
• 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: 6.8328 ± 0.0002 Å
• b: 14.7453 ± 0.0003 Å
• c: 12.9522 ± 0.0002 Å
• α: 90°
• β: 99.188 ± 0.002°
• γ: 90°
• Cell volume: 1288.21 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No