Information card for entry 2010791

Structure parameters

• Formula: C18 H18 N9 O12 Sm
• Calculated formula: C18 H14 N9 O12 Sm
• SMILES: [Sm]12345(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([OH2])[n]1c(nc(nc1c1[n]4cccc1)c1ncccc1)c1[n]5cccc1.O.O
• Title of publication: [Sm(NO~3~)~3~(TPTZ)(H~2~O)]·2H~2~O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine]
• Authors of publication: Michael G.B.Drew; Michael J.Hudson; Peter B. Iveson; Charles Madic
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 434 - 435
• a: 9.592 ± 0.012 Å
• b: 11.989 ± 0.014 Å
• c: 12.574 ± 0.014 Å
• α: 115.219 ± 0.01°
• β: 102.68 ± 0.01°
• γ: 94.734 ± 0.01°
• Cell volume: 1251 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes