Information card for entry 2108670

Structure parameters

• Formula: C3 H8 N2 O6 P2
• Calculated formula: C3 H8 N2 O6 P2
• Title of publication: Crystal structures and phase transitions of imidazolium hypodiphosphates
• Authors of publication: Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• a: 7.014 ± 0.003 Å
• b: 8.361 ± 0.003 Å
• c: 14.389 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 843.8 ± 0.6 ų
• Cell temperature: 326 ± 2 K
• Ambient diffraction temperature: 326 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No