Information card for entry 2238444

Structure parameters

• Common name: Bis(p-nitrophenyl) phosphate sodium salt
• Chemical name: Poly[[μ-bis(4-nitrophenyl) phosphato-κ^2^<i>O</i>,<i>O</i>']sodium]
• Formula: C12 H8 N2 Na O8 P
• Calculated formula: C12 H8 N2 Na O8 P
• SMILES: P(=O)(Oc1ccc(N(=O)=O)cc1)(Oc1ccc(N(=O)=O)cc1)[O-].[Na+]
• Title of publication: Poly[[μ-bis(4-nitrophenyl) phosphato-κ^2^<i>O</i>,<i>O</i>']sodium]
• Authors of publication: Gerus, Aleksandra; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m464 - m465
• a: 6.963 ± 0.002 Å
• b: 9.844 ± 0.003 Å
• c: 11.213 ± 0.003 Å
• α: 103.93 ± 0.03°
• β: 105.83 ± 0.03°
• γ: 106.38 ± 0.03°
• Cell volume: 666.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes