Information card for entry 1543077

Structure parameters

• Formula: C98 H112 Cl4 Ni6 S12
• Calculated formula: C98 H112 Cl4 Ni6 S12
• 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: 11.1685 ± 0.0011 Å
• b: 12.4485 ± 0.0012 Å
• c: 18.1823 ± 0.0018 Å
• α: 77.032 ± 0.004°
• β: 82.429 ± 0.004°
• γ: 89.334 ± 0.004°
• Cell volume: 2441.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0564
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No