Information card for entry 2237786

Structure parameters

• Chemical name: Bis(4-nitrophenyl) selenide
• Formula: C12 H8 N2 O4 Se
• Calculated formula: C12 H8 N2 O4 Se
• SMILES: [Se](c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O
• Title of publication: Bis(4-nitrophenyl) selenide
• Authors of publication: Zuo, Zong-Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o636
• a: 7.207 ± 0.004 Å
• b: 14.176 ± 0.007 Å
• c: 11.686 ± 0.005 Å
• α: 90°
• β: 101.87 ± 0.007°
• γ: 90°
• Cell volume: 1168.4 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes