Information card for entry 7249130

Structure parameters

• Formula: C96 H172 N24 O62 P4
• Calculated formula: C96 H92 N24 O22 P4
• 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: 10.7489 ± 0.0001 Å
• b: 11.1092 ± 0.0001 Å
• c: 28.1083 ± 0.0002 Å
• α: 92.98 ± 0.001°
• β: 92.563 ± 0.001°
• γ: 102.701 ± 0.001°
• Cell volume: 3264.47 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.0978
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2687
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No