Information card for entry 4344551

Structure parameters

• Formula: C48 H64 N Ni O4 S4
• Calculated formula: C48 H64 N Ni O4 S4
• Title of publication: Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts.
• Authors of publication: Zarkadoulas, Athanasios; Field, Martin J.; Papatriantafyllopoulou, Constantina; Fize, Jennifer; Artero, Vincent; Mitsopoulou, Christiana A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 432 - 444
• a: 9.686 ± 0.0004 Å
• b: 15.9951 ± 0.0011 Å
• c: 16.9499 ± 0.0009 Å
• α: 106.901 ± 0.005°
• β: 93.89 ± 0.004°
• γ: 107.188 ± 0.005°
• Cell volume: 2366.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No