Information card for entry 7249127

Structure parameters

• Formula: C7 H10 O4 P
• Calculated formula: C7 H10 O4 P
• Title of publication: Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions
• Authors of publication: Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 34
• Pages of publication: 4643 - 4648
• a: 14.8893 ± 0.0005 Å
• b: 6.2149 ± 0.0002 Å
• c: 9.0927 ± 0.0003 Å
• α: 90°
• β: 93.663 ± 0.003°
• γ: 90°
• Cell volume: 839.68 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0556
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No