Information card for entry 7020084

Structure parameters

• Formula: C10 H7 N3 O2
• Calculated formula: C10 H7 N3 O2
• SMILES: c1cccc(n1)c1cccc(n1)N(=O)=O
• Title of publication: Unusual nitro-coordination of europium(iii) and terbium(iii) with pyridinyl ligands.
• Authors of publication: de Bettencourt-Dias, Ana; Bauer, Sebastian; Viswanathan, Subha; Maull, Brandi C.; Ako, Ayuk M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11212 - 11218
• a: 3.7128 ± 0.0003 Å
• b: 11.7806 ± 0.0008 Å
• c: 19.9856 ± 0.0014 Å
• α: 90°
• β: 92.925 ± 0.002°
• γ: 90°
• Cell volume: 873.01 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No