Information card for entry 2226835

Structure parameters

• Chemical name: Poly[diaqua[3,5-bis(trifluoromethyl)pyrazolido]potassium]
• Formula: C5 H5 F6 K N2 O2
• Calculated formula: C5 H5 F6 K N2 O2
• Title of publication: Poly[diaqua[3,5-bis(trifluoromethyl)pyrazolido]potassium]
• Authors of publication: Phan, Hien Ngoc; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m928
• a: 9.7453 ± 0.0009 Å
• b: 9.8179 ± 0.001 Å
• c: 12.5243 ± 0.0014 Å
• α: 67.756 ± 0.008°
• β: 78.178 ± 0.008°
• γ: 88.758 ± 0.008°
• Cell volume: 1083.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes