Information card for entry 7020086

Structure parameters

• Formula: C15 H10 N7 O11 Tb
• Calculated formula: C15 H10 N7 O11 Tb
• SMILES: [Tb]123456([n]7ccccc7c7cccc(c8cccc([n]28)N(=[O]3)=O)[n]17)(ON(=[O]4)=O)(ON(=[O]5)=O)ON(=[O]6)=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: 15.125 ± 0.003 Å
• b: 13.776 ± 0.003 Å
• c: 18.716 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3899.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No