Information card for entry 2011179

Structure parameters

• Chemical name: Ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2)
• Formula: C12 H20 N2 O8 P2
• Calculated formula: C12 H20 N2 O8 P2
• Title of publication: A structural hierarchy in the hydrogen-bonded adduct ethane-1,2-diphosphonic acid‒4,4'-bipyridyl‒water (1/1/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i> = 3) with substructures having <i>N</i> = 1 and 2
• Authors of publication: Glidewell, Christopher; Ferguson, George; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 855 - 858
• a: 4.8297 ± 0.0002 Å
• b: 7.9967 ± 0.0005 Å
• c: 11.0644 ± 0.0006 Å
• α: 89.022 ± 0.003°
• β: 80.294 ± 0.003°
• γ: 78.5 ± 0.003°
• Cell volume: 412.69 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes