Information card for entry 2225843

Structure parameters

• Chemical name: 2,2'-(Diselane-1,2-diyl)dinicotinamide <i>N</i>,<i>N</i>'-dimethylformamide disolvate
• Formula: C18 H24 N6 O4 Se2
• Calculated formula: C18 H24 N6 O4 Se2
• SMILES: C(=O)(c1cccnc1[Se][Se]c1c(C(=O)N)cccn1)N.N(C)(C=O)C.N(C)(C=O)C
• Title of publication: 2,2'-(Diselane-1,2-diyl)dinicotinamide <i>N</i>,<i>N</i>'-dimethylformamide disolvate
• Authors of publication: Feng, Aixia; Xu, Ying; Wei, Xuehong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1216
• a: 7.6101 ± 0.0017 Å
• b: 12.318 ± 0.003 Å
• c: 13.42 ± 0.003 Å
• α: 114.175 ± 0.002°
• β: 91.017 ± 0.003°
• γ: 95.833 ± 0.003°
• Cell volume: 1139.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes