Information card for entry 8104935

Structure parameters

• Chemical name: <i>N</i>-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide
• Formula: C25 H20 N2 O2 Se2
• Calculated formula: C25 H20 N2 O2 Se2
• SMILES: [Se](c1cc(NC(=O)c2ncccc2)c(OC)cc1[Se]c1ccccc1)c1ccccc1
• Title of publication: The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2
• Authors of publication: Wang, Lu-Yao; Wang, Qing; Zhang, Meng-Meng; Li, Ping-Ping; Guo, Xiao-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 249 - 250
• a: 9.605 ± 0.0002 Å
• b: 9.7531 ± 0.0002 Å
• c: 13.2788 ± 0.0002 Å
• α: 75.13 ± 0.001°
• β: 81.824 ± 0.001°
• γ: 72.329 ± 0.002°
• Cell volume: 1142.75 ± 0.04 ų
• Cell temperature: 294.45 ± 0.1 K
• Ambient diffraction temperature: 294.45 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No