Information card for entry 2220913

Structure parameters

• Chemical name: [1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>'](2- carboxylatothiophenolato-κ^2^<i>O</i>,<i>S</i>)nickel(II) methanol solvate
• Formula: C34 H32 Ni O3 P2 S
• Calculated formula: C34 H32 Ni O3 P2 S
• SMILES: [Ni]12(OC(=O)c3c(S2)cccc3)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC
• Title of publication: [1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>'](2-carboxylatothiophenolato-κ^2^<i>O</i>,<i>S</i>)nickel(II) methanol solvate
• Authors of publication: Miao, Jinling; Li, Furong; Chen, Haiyan; Wang, Daqi; Nie, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m156
• a: 13.9229 ± 0.0015 Å
• b: 11.6244 ± 0.001 Å
• c: 19.553 ± 0.002 Å
• α: 90°
• β: 100.085 ± 0.002°
• γ: 90°
• Cell volume: 3115.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes