Information card for entry 2008061

Structure parameters

• Chemical name: Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)
• Formula: C24 H36 N6 O16 Sr
• Calculated formula: C24 H36 N6 O16 Sr
• SMILES: [Sr]123456([OH]CC[N]3(CC[OH]1)CC[OH]2)[OH]CC[N]4(CC[OH]5)CC[OH]6.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1.[O-]c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: Bis(triethanolamine)strontium(II) bis(2,4-dinitrophenolate)
• Authors of publication: Poonia, Narinder Singh; Chhabra, Neera; Sheldrick, W. S.; Hundal, Geeta; Obrai, Sangeeta; Hundal, Maninder Singh
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 24 - 26
• a: 7.826 ± 0.002 Å
• b: 17.069 ± 0.003 Å
• c: 11.578 ± 0.002 Å
• α: 90°
• β: 93.09 ± 0.03°
• γ: 90°
• Cell volume: 1544.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for all reflections: 0.279
• Weighted residual factors for significantly intense reflections: 0.191
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No