Information card for entry 7245022

Structure parameters

• Formula: C20 H40 N8 O20 P6
• Calculated formula: C20 H40 N8 O20 P6
• 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: 15.716 ± 0.002 Å
• b: 17.045 ± 0.002 Å
• c: 13.827 ± 0.002 Å
• α: 90°
• β: 100.46 ± 0.01°
• γ: 90°
• Cell volume: 3642.4 ± 0.8 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No