Information card for entry 4344550

Structure parameters

• Formula: C30 H24 Ni O2 S4
• Calculated formula: C30 H24 Ni O2 S4
• SMILES: [Ni]12(SC(=C(S1)c1ccc(OC)cc1)c1ccccc1)SC(=C(S2)c1ccccc1)c1ccc(OC)cc1
• 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: 9.975 ± 0.005 Å
• b: 10.495 ± 0.005 Å
• c: 13.5 ± 0.005 Å
• α: 85.497 ± 0.005°
• β: 75.295 ± 0.005°
• γ: 85.161 ± 0.005°
• Cell volume: 1359.7 ± 1.1 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: 0.088
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No