Information card for entry 7023454

Structure parameters

• Formula: C5 H9 N O11 P2 Sr2
• Calculated formula: C5 H9 N O11 P2 Sr2
• SMILES: C(C(=O)[O-])N(CP(=O)([O-])O)CC(=O)[O-].[Sr+2].O=P(O)([O-])[O-].[Sr+2]
• Title of publication: Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.
• Authors of publication: Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15332 - 15342
• a: 5.2567 ± 0.0004 Å
• b: 8.7839 ± 0.0006 Å
• c: 26.549 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.88 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No