Information card for entry 4308054

Structure parameters

• Formula: C32 H28 Ni O4 S4
• Calculated formula: C32 H28 Ni O4 S4
• SMILES: [Ni]12(SC(=C(S2)c2ccc(OC)cc2)c2ccc(OC)cc2)SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Preparation and Isolation of Dithiolene Thiophosphoryl Molecules as Stable, Protected Forms of Dithiolene Ligands
• Authors of publication: Kuppuswamy Arumugam; James E. Bollinger; Mark Fink; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3283 - 3288
• a: 9.7966 ± 0.0012 Å
• b: 12.2052 ± 0.0015 Å
• c: 14.1207 ± 0.0017 Å
• α: 105.856 ± 0.002°
• β: 104.118 ± 0.002°
• γ: 107.017 ± 0.002°
• Cell volume: 1453.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No