Information card for entry 8102607

Structure parameters

• Chemical name: (C~6~H~8~N~4~^2+^).2(H~2~PO~4~^-^)
• Formula: C6 H12 N4 O8 P2
• Calculated formula: C6 H12 N4 O8 P2
• Title of publication: Crystal structure of 2,2'-biimidazolium bis- (dihydrogen phosphate), [C6H8N4][H2PO4]2
• Authors of publication: Geng-Xu Yang; Shi-Zhen Zhang; Zi-Liang Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 127
• a: 15.903 ± 0.002 Å
• b: 9.6799 ± 0.0012 Å
• c: 8.4361 ± 0.0011 Å
• α: 90°
• β: 107.858 ± 0.002°
• γ: 90°
• Cell volume: 1236.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No