Information card for entry 7021759

Structure parameters

• Formula: C10 H13 Cl N O5 P
• Calculated formula: C10 H13 Cl N O5 P
• SMILES: P(=O)(O)(O)Cc1c2ccc[nH+]c2c(O)cc1.O.[Cl-]
• Title of publication: Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.
• Authors of publication: Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12228 - 12237
• a: 7.3523 ± 0.0017 Å
• b: 9.164 ± 0.002 Å
• c: 18.612 ± 0.004 Å
• α: 90°
• β: 95.622 ± 0.004°
• γ: 90°
• Cell volume: 1248 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No