Information card for entry 7245023

Structure parameters

• Formula: C10 H20 N4 O12 P4
• Calculated formula: C10 H20 N4 O12 P4
• 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: 7.528 ± 0.002 Å
• b: 8.333 ± 0.002 Å
• c: 9.306 ± 0.003 Å
• α: 107.37 ± 0.03°
• β: 105.74 ± 0.02°
• γ: 102.95 ± 0.02°
• Cell volume: 505.8 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No