Information card for entry 2108672

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: 13.673 ± 0.002 Å
• b: 8.396 ± 0.002 Å
• c: 14.317 ± 0.003 Å
• α: 90.57 ± 0.02°
• β: 90°
• γ: 90°
• Cell volume: 1643.5 ± 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 21/n 1 1
• Hall space group symbol: -P 2xn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes