Information card for entry 1543078

Structure parameters

• Formula: C64 H72 Ni4 S8
• Calculated formula: C64 H72 Ni4 S8
• SMILES: [Ni]12345[Ni]67([Ni]89([Ni]1([S]2CCc1ccccc1)([S]3CCc1ccccc1)([S]8CCc1ccccc1)[S]9CCc1ccccc1)([S]6CCc1ccccc1)[S]7CCc1ccccc1)([S]4CCc1ccccc1)[S]5CCc1ccccc1
• Title of publication: Atomically monodisperse nickel nanoclusters as highly active electrocatalysts for water oxidation.
• Authors of publication: Joya, Khurram S.; Sinatra, Lutfan; AbdulHalim, Lina G.; Joshi, Chakra P.; Hedhili, M. N.; Bakr, Osman M.; Hussain, Irshad
• Journal of publication: Nanoscale
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 9695 - 9703
• a: 12.957 ± 0.0009 Å
• b: 15.3918 ± 0.001 Å
• c: 16.9527 ± 0.0011 Å
• α: 86.571 ± 0.002°
• β: 70.541 ± 0.002°
• γ: 73.4 ± 0.002°
• Cell volume: 3052.6 ± 0.4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No