Information card for entry 2228070

Structure parameters

• Chemical name: Triimidazolium tris(pyridine-2,6-dicarboxylato)dysprosate(III) trihydrate
• Formula: C30 H30 Dy N9 O15
• Calculated formula: C30 H30 Dy N9 O15
• SMILES: [Dy]123456([n]7c(C(=O)O1)cccc7C(=O)O4)(OC(=O)c1[n]6c(C(=O)O2)ccc1)[n]1c(C(=O)O5)cccc1C(=O)O3.c1c[nH]c[nH+]1.[nH]1c[nH+]cc1.c1c[nH+]c[nH]1.O.O.O
• Title of publication: Triimidazolium tris(pyridine-2,6-dicarboxylato)dysprosate(III) trihydrate
• Authors of publication: Meng, Lingzong; Duan, Chaowen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1291 - m1292
• a: 10.939 ± 0.002 Å
• b: 12.099 ± 0.002 Å
• c: 14.07 ± 0.003 Å
• α: 88.57 ± 0.03°
• β: 85.64 ± 0.03°
• γ: 67.28 ± 0.03°
• Cell volume: 1712.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0224
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes