Information card for entry 2222138

Structure parameters

• Chemical name: bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Formula: C8 H20 Ni O4 P2 S4
• Calculated formula: C8 H20 Ni O4 P2 S4
• SMILES: [Ni]12([S]=P(OCC)(OCC)S1)[S]=P(OCC)(OCC)S2
• Title of publication: Redetermination of bis(<i>O</i>,<i>O</i>'-diethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Paliwoda, Damian; Chojnacki, Jarosław; Mietlarek-Kropidłowska, Anna; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m662
• a: 10.481 ± 0.0004 Å
• b: 10.2777 ± 0.0003 Å
• c: 8.7541 ± 0.0003 Å
• α: 90°
• β: 102.82 ± 0.003°
• γ: 90°
• Cell volume: 919.49 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes