Information card for entry 2023276

Structure parameters

• Chemical name: <i>catena</i>-Poly[[triaquasodium]-di-μ-aqua-[triaquasodium]-μ-(ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolato]]
• Formula: C5 H19 Na O5 P S2
• Calculated formula: C5 H19 Na O5 P S2
• Title of publication: Synthesis and crystal structure of sodium (ethane-1,2-diyl)bis[(3-methoxypropyl)phosphinodithiolate] octahydrate
• Authors of publication: Nell, Bryan P.; Tyler, David R.; Zakharov, Lev N.; Johnston, Dean H.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• a: 6.7412 ± 0.0008 Å
• b: 8.2961 ± 0.0008 Å
• c: 11.8621 ± 0.0017 Å
• α: 79.608 ± 0.002°
• β: 89.207 ± 0.002°
• γ: 87.03 ± 0.001°
• Cell volume: 651.63 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.03
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No