Information card for entry 2010541

Structure parameters

• Chemical name: Ammonium hydrogen squarate‒water (3/2)
• Formula: C4 H6.33 N O4.67
• Calculated formula: C4 H6.33333 N O4.66667
• Title of publication: Ammonium hydrogen squarate‒water (3/2)
• Authors of publication: Kolev, Tsonko; Glavcheva, Zornitza; Petrova, Rosica; Angelova, Olyana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 110 - 112
• a: 10.031 ± 0.003 Å
• b: 8.2799 ± 0.0017 Å
• c: 10.968 ± 0.002 Å
• α: 90°
• β: 99.274 ± 0.002°
• γ: 90°
• Cell volume: 899 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes