Information card for entry 7703713

Structure parameters

• Formula: C26 H36 N8 O2 Pd S4
• Calculated formula: C26 H36 N8 O2 Pd S4
• SMILES: [Pd]123[N](N=C(S2)Nc2ccc(SC)cc2)=C(C(=[N]3N=C(S1)Nc1ccc(SC)cc1)C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Ligand-based electronic effects on the electrocatalytic hydrogen production by thiosemicarbazone nickel complexes.
• Authors of publication: Papadakis, Michael; Barrozo, Alexandre; Straistari, Tatiana; Queyriaux, Nicolas; Putri, Anisa; Fize, Jennifer; Giorgi, Michel; Réglier, Marius; Massin, Julien; Hardré, Renaud; Orio, Maylis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5064 - 5073
• a: 11.338 ± 0.0003 Å
• b: 12.5181 ± 0.0003 Å
• c: 12.8599 ± 0.0003 Å
• α: 70.595 ± 0.002°
• β: 70.544 ± 0.002°
• γ: 82.812 ± 0.002°
• Cell volume: 1623.01 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0423
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No