Information card for entry 4512857

Structure parameters

• Common name: eisad03
• Formula: C20 H36 N2 Ni O4 S6
• Calculated formula: C20 H36 N2 Ni O4 S6
• Title of publication: Nickel Complexes for Robust Light-Driven and Electrocatalytic Hydrogen Production from Water
• Authors of publication: Das, Amit; Han, Zhiji; Brennessel, William W.; Holland, Patrick L.; Eisenberg, Richard
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1397
• a: 8.3237 ± 0.0012 Å
• b: 11.0567 ± 0.0016 Å
• c: 15.928 ± 0.002 Å
• α: 92.197 ± 0.003°
• β: 99.883 ± 0.003°
• γ: 94.145 ± 0.003°
• Cell volume: 1438.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1182
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No