Information card for entry 1546627

Structure parameters

• Chemical name: 2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)
• Formula: C16 H18 N4 O2 Se2
• Calculated formula: C16 H18 N4 O2 Se2
• SMILES: [Se]([Se]c1ncccc1C(=O)N(C)C)c1ncccc1C(=O)N(C)C
• Title of publication: 2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide)
• Authors of publication: Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: x170882
• a: 7.167 ± 0.002 Å
• b: 8.726 ± 0.003 Å
• c: 13.947 ± 0.004 Å
• α: 90°
• β: 96.375 ± 0.004°
• γ: 90°
• Cell volume: 866.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes