Information card for entry 2203487

Structure parameters

• Chemical name: Bis(O,O'-di-p-tolyldithiophosphato-κ^2^S,S')nickel(II)
• Formula: C28 H28 Ni O4 P2 S4
• Calculated formula: C28 H28 Ni O4 P2 S4
• SMILES: O(c1ccc(cc1)C)P2(=[S][Ni]3(SP(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)=[S]3)S2)Oc1ccc(cc1)C
• Title of publication: Bis(<i>O,O</i>'-di-<i>p</i>-tolyldithiophosphato-κ^2^<i>S,S</i>')nickel(II)
• Authors of publication: Zhang, Shu-Shang; Yang, Bo; Wang, Yan-Fang; Li, Xue-Mei; Jiao, Kui; Kassim, Mohammad. B.; Yamin, Bohari. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m485 - m486
• a: 7.1884 ± 0.0011 Å
• b: 9.3158 ± 0.0014 Å
• c: 12.1699 ± 0.0018 Å
• α: 78.605 ± 0.002°
• β: 81.335 ± 0.002°
• γ: 78.557 ± 0.002°
• Cell volume: 777.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.033
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes