Information card for entry 7203178

Structure parameters

• Common name: SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID
• Chemical name: SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID
• Formula: C12 H11 K N2 O12 P2
• Calculated formula: C12 H11 K N2 O12 P2
• SMILES: [K+].P(=O)(Oc1ccc(cc1)N(=O)=O)(O)O.P(=O)(Oc1ccc(cc1)N(=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: 7.669 ± 0.002 Å
• b: 19.817 ± 0.004 Å
• c: 11.707 ± 0.002 Å
• α: 90°
• β: 102.9 ± 0.03°
• γ: 90°
• Cell volume: 1734.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No