Information card for entry 7203180

Structure parameters

• Common name: POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE
• Chemical name: POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE
• Formula: C6 H9 K N O8 P
• Calculated formula: C6 H9 K N O8 P
• SMILES: [K+].P(=O)(Oc1ccc(cc1)N(=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: 12.58 ± 0.003 Å
• b: 6.743 ± 0.002 Å
• c: 13.316 ± 0.003 Å
• α: 90°
• β: 93.89 ± 0.03°
• γ: 90°
• Cell volume: 1127 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No