Information card for entry 7045483

Structure parameters

• Formula: Cl Na O2.5 P0.5 V0.5
• Calculated formula: Cl Na O2.5 P0.5 V0.5
• Title of publication: Destruction of chemical warfare agent simulants by air and moisture stable metal NHC complexes.
• Authors of publication: Weetman, Catherine; Notman, Stuart; Arnold, Polly L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2568 - 2574
• a: 7.358 ± 0.0006 Å
• b: 6.3903 ± 0.0006 Å
• c: 15.2247 ± 0.0016 Å
• α: 90°
• β: 90.318 ± 0.009°
• γ: 90°
• Cell volume: 715.85 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.2631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No