Information card for entry 2217617

Structure parameters

• Chemical name: Ethane-1,2-diylbis(methylphosphinic acid)
• Formula: C4 H12 O4 P2
• Calculated formula: C4 H12 O4 P2
• SMILES: CP(=O)(O)CCP(=O)(C)O
• Title of publication: Ethane-1,2-diylbis(methylphosphinic acid)
• Authors of publication: Guido J. Reiß; Judith S. Engel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o400 - o400
• a: 6.7761 ± 0.0018 Å
• b: 18.703 ± 0.008 Å
• c: 6.8401 ± 0.0015 Å
• α: 90°
• β: 102.09 ± 0.03°
• γ: 90°
• Cell volume: 847.6 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes