Information card for entry 4511253

Structure parameters

• Formula: C14 H18 N4 O9 P2
• Calculated formula: C14 H18 N4 O9 P2
• Title of publication: Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)
• Authors of publication: Lie, Sharon; Maris, Thierry; Wuest, James D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3658
• a: 22.7176 ± 0.0015 Å
• b: 4.5011 ± 0.0003 Å
• c: 20.409 ± 0.002 Å
• α: 90°
• β: 122.834 ± 0.002°
• γ: 90°
• Cell volume: 1753.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No