Information card for entry 4320863

Structure parameters

• Common name: complex 2
• Chemical name: (tetraethylammonium)(sodium(I)-acetonitrile[(bis-2,2'dithiolatobiphenyl) nickel(II)] dimer
• Formula: C34 H39 N2 Na Ni S4
• Calculated formula: C34 H39 N2 Na Ni S4
• SMILES: [Ni]123[S](c4ccccc4c4ccccc4S1)[Na]1([N]#CC)[S]2(c2ccccc2c2ccccc2S3)[Na]2([N]#CC)[S](c3ccccc3c3ccccc3S3)[Ni]34[S]12c1ccccc1c1ccccc1S4.[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis and Characterization of Square Planar Nickel(II)-Arylthiolate Complexes with the Biphenyl-2,2'-dithiolate Ligand
• Authors of publication: Edurne Erkizia; Rebecca R. Conry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1674 - 1679
• a: 9.957 ± 0.001 Å
• b: 13.267 ± 0.001 Å
• c: 13.956 ± 0.001 Å
• α: 108.489 ± 0.007°
• β: 90.396 ± 0.006°
• γ: 103.57 ± 0.004°
• Cell volume: 1693 ± 0.3 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: 0.0661
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.0872
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No