Information card for entry 2212662

Structure parameters

• Common name: disodium 4-nitrophenyl phosphate trihydrate
• Chemical name: Disodium 4-nitrophenyl phosphate trihydrate
• Formula: C6 H10 N Na2 O9 P
• Calculated formula: C6 H10 N Na2 O9 P
• SMILES: [Na+].[Na+].P(=O)(Oc1ccc(N(=O)=O)cc1)([O-])[O-].O.O.O
• Title of publication: Disodium 4-nitrophenyl phosphate trihydrate
• Authors of publication: Marian Kuczek; Bryndal, Iwona; Joannna Malinowska; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m889 - m891
• a: 16.839 ± 0.004 Å
• b: 11.12 ± 0.003 Å
• c: 6.693 ± 0.002 Å
• α: 90°
• β: 101.11 ± 0.03°
• γ: 90°
• Cell volume: 1229.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes