Information card for entry 2008419

Structure parameters

• Common name: 1,2-Ethylenebis(phosphonic acid)
• Formula: C2 H8 O4 P2
• Calculated formula: C2 H8 O4 P2
• SMILES: C(C[P@H](=O)O)[P@@H](=O)O
• Title of publication: Ethylenebis(phosphonic acid)
• Authors of publication: Joachim Bruckmann; Carl Krüger; Christian W. Lehmann; Walter Leitner; Jörg Rust; Christian Six
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 695 - 696
• a: 4.8912 ± 0.0006 Å
• b: 11.6238 ± 0.0012 Å
• c: 5.6581 ± 0.0003 Å
• α: 90°
• β: 91.279 ± 0.006°
• γ: 90°
• Cell volume: 321.61 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.041
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No