Information card for entry 7022926

Structure parameters

• Common name: Aqua(1,1-Bis(5-(pyridine-2-yl)-1,2,4-triazole-3- yl)methanote(1-)) (1,1-Bis(5-(pyridine-2-yl)-1,2,4-triazole-3- yl)methanote(2-))neodimium(iii)
• Formula: C30 H28 N16 Nd O7
• Calculated formula: C30 H26 N16 Nd O7
• Title of publication: Ln(III) complexes of a bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)methane ligand: synthesis, structure and fluorescent properties.
• Authors of publication: Gusev, Alexey N.; Hasegawa, Miki; Nishchymenko, Galyna A.; Shul'gin, Victor F.; Meshkova, Svetlana B.; Doga, Pavel; Linert, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6936 - 6943
• a: 11.5441 ± 0.0003 Å
• b: 23.74 ± 0.0006 Å
• c: 27.0161 ± 0.0006 Å
• α: 90°
• β: 93.966 ± 0.001°
• γ: 90°
• Cell volume: 7386.2 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0569
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No