Information card for entry 7245024

Structure parameters

• Formula: C10 H16 N4 O6 P2
• Calculated formula: C10 H16 N4 O6 P2
• Title of publication: Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration
• Authors of publication: Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 14.254 ± 0.002 Å
• b: 14.405 ± 0.002 Å
• c: 11.118 ± 0.002 Å
• α: 90°
• β: 91.81 ± 0.02°
• γ: 90°
• Cell volume: 2281.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.158
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No