Information card for entry 2210094

Structure parameters

• Chemical name: (2,2'-Bipyridyl)bis(O,O'-diisobutyl dithiophosphato-κ^2^S,S')nickel(II)
• Formula: C26 H44 N2 Ni O4 P2 S4
• Calculated formula: C26 H44 N2 Ni O4 P2 S4
• SMILES: [Ni]123([S]=P(S1)(OCC(C)C)OCC(C)C)([S]=P(S2)(OCC(C)C)OCC(C)C)[n]1c(c2[n]3cccc2)cccc1
• Title of publication: (2,2'-Bipyridyl)bis(<i>O</i>,<i>O</i>'-diisobutyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Berdugo, Erick; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2218 - m2220
• a: 12.102 ± 0.002 Å
• b: 18.526 ± 0.003 Å
• c: 15.307 ± 0.003 Å
• α: 90°
• β: 103.954 ± 0.005°
• γ: 90°
• Cell volume: 3330.6 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes