Information card for entry 4322408

Structure parameters

• Formula: C26 H40 N Ni O2 S8
• Calculated formula: C26 H40 N Ni O2 S8
• SMILES: [Ni]12(SC(=CS1)C1SC(=O)SC=1)SC=C(S2)C1SC(=O)SC=1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged Complexes. Synthesis and Characterization of Metal Complexes of 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal Complexes of 1,2,3,4-Butadienetetrathiolate
• Authors of publication: Christopher E. Keefer; Suzanne T. Purrington; Robert D. Bereman; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5437 - 5442
• a: 8.3508 ± 0.0002 Å
• b: 26.4703 ± 0.0007 Å
• c: 15.2778 ± 0.0003 Å
• α: 90°
• β: 99.816 ± 0.001°
• γ: 90°
• Cell volume: 3327.69 ± 0.14 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• 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: 0.1201
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections: 0.2167
• Weighted residual factors for significantly intense reflections: 0.1948
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No