Information card for entry 7246913

Structure parameters

• Formula: C20 H36 N8 O18 P6
• Calculated formula: C20 H36 N8 O18 P6
• Title of publication: Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system
• Authors of publication: Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 3826 - 3836
• a: 8.001 ± 0.002 Å
• b: 8.69 ± 0.002 Å
• c: 13.612 ± 0.003 Å
• α: 79.88 ± 0.02°
• β: 73.43 ± 0.02°
• γ: 84.7 ± 0.02°
• Cell volume: 892.1 ± 0.4 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: 0.0712
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No