Information card for entry 2210730

Structure parameters

• Chemical name: (2,2'-Bipyridyl-κ^2^N,N')bis(O,O'-diisopropyl dithiophosphato-κ^2^S,S')nickel(II)
• Formula: C22 H36 N2 Ni O4 P2 S4
• Calculated formula: C22 H36 N2 Ni O4 P2 S4
• SMILES: [Ni]123([S]=P(S1)(OC(C)C)OC(C)C)([S]=P(S2)(OC(C)C)OC(C)C)[n]1ccccc1c1[n]3cccc1
• Title of publication: (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(<i>O</i>,<i>O</i>'-diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Berdugo, Erick; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2693 - m2694
• a: 9.1585 ± 0.0003 Å
• b: 30.6703 ± 0.0012 Å
• c: 11.6407 ± 0.0004 Å
• α: 90°
• β: 110.808 ± 0.001°
• γ: 90°
• Cell volume: 3056.53 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes