Information card for entry 2236865

Structure parameters

• Chemical name: Bis[<i>O</i>-propyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)
• Formula: C22 H32 Ni O4 P2 S4
• Calculated formula: C22 H32 Ni O4 P2 S4
• SMILES: c1(ccc(cc1)OCC)P1(OCCC)=[S][Ni]2([S]=P(c3ccc(cc3)OCC)(OCCC)S2)S1
• Title of publication: Bis[<i>O</i>-propyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)
• Authors of publication: Sewpersad, Shirveen; Omondi, Bernard; Van Zyl, Werner E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1534
• a: 9.4227 ± 0.0002 Å
• b: 15.6479 ± 0.0003 Å
• c: 9.5281 ± 0.0002 Å
• α: 90°
• β: 102.878 ± 0.001°
• γ: 90°
• Cell volume: 1369.54 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0193
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes