Information card for entry 7203181

Structure parameters

• Common name: DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE
• Chemical name: DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE
• Formula: C6 H12 K2 N O10 P
• Calculated formula: C6 H12 K2 N O10 P
• SMILES: [K+].[K+].P(=O)(Oc1ccc(cc1)N(=O)=O)([O-])[O-].O.O.O.O
• Title of publication: 4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study
• Authors of publication: Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 150
• a: 12.529 ± 0.004 Å
• b: 7.131 ± 0.003 Å
• c: 31.914 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2851.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No