Information card for entry 2217495

Structure parameters

• Chemical name: [ trans-Bis(4-methoxythiophenolato-κS)bis(trimethylphosphine-κP)nickel(II)
• Formula: C20 H32 Ni O2 P2 S2
• Calculated formula: C20 H32 Ni O2 P2 S2
• SMILES: [Ni]([P](C)(C)C)([P](C)(C)C)(Sc1ccc(cc1)OC)Sc1ccc(cc1)OC
• Title of publication: <i>trans</i>-Bis(4-methoxythiophenolato-κ<i>S</i>)bis(trimethylphosphine-κ<i>P</i>)nickel(II)
• Authors of publication: Cao, Ruixia; Wang, Qibao; Sun, Hongjian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m279 - m279
• a: 14.022 ± 0.003 Å
• b: 15.983 ± 0.003 Å
• c: 10.758 ± 0.002 Å
• α: 90°
• β: 100.93 ± 0.03°
• γ: 90°
• Cell volume: 2367.3 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 423 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes