Information card for entry 7713381

Structure parameters

• Formula: C20 H14 N6 Ni S2
• Calculated formula: C20 H14 N6 Ni S2
• SMILES: [Ni]123(Sc4[n]1cccn4)(Sc1[n]2cccn1)[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: Light-induced hydrogen production from water using nickel(II) catalysts and N-doped carbon-dot photosensitizers: catalytic efficiency enhancement by increase of catalyst nuclearity.
• Authors of publication: Gioftsidou, Dimitra K.; Landrou, Georgios; Tzatza, Charikleia; Hatzidimitriou, Antonios; Orfanos, Emmanouil; Charalambidis, Georgios; Ladomenou, Kalliopi; Coutsolelos, Athanassios G.; Angaridis, Panagiotis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 13.2078 ± 0.0017 Å
• b: 10.4518 ± 0.0014 Å
• c: 14.7158 ± 0.0019 Å
• α: 90°
• β: 105.951 ± 0.005°
• γ: 90°
• Cell volume: 1953.2 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No