Information card for entry 7249128

Structure parameters

• Formula: C18 H18 N O5 P
• Calculated formula: C18 H18 N O5 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: 5.51236 ± 0.00003 Å
• b: 15.23409 ± 0.00008 Å
• c: 19.29148 ± 0.00011 Å
• α: 90°
• β: 97.9423 ± 0.0006°
• γ: 90°
• Cell volume: 1604.48 ± 0.015 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No