Information card for entry 7249608

Structure parameters

• Formula: C10 H20 N4 O8 P2
• Calculated formula: C10 H20 N4 O8 P2
• Title of publication: Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts
• Authors of publication: Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 48
• Pages of publication: 6861 - 6872
• a: 6.999 ± 0.003 Å
• b: 7.137 ± 0.003 Å
• c: 9.596 ± 0.003 Å
• α: 104.55 ± 0.03°
• β: 93.32 ± 0.03°
• γ: 117.03 ± 0.04°
• Cell volume: 405 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0341
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No