Information card for entry 1556899

Structure parameters

• Formula: C144 H300 Ni6 S12
• Calculated formula: C144 H300 Ni6 S12
• SMILES: C(CCCCCCCCCCC)[S]1[Ni]23[S](CCCCCCCCCCCC)[Ni]4([S](CCCCCCCCCCCC)[Ni]5([S]4CCCCCCCCCCCC)[S](CCCCCCCCCCCC)[Ni]4([S](CCCCCCCCCCCC)[Ni]6([S](CCCCCCCCCCCC)[Ni]1([S]2CCCCCCCCCCCC)[S]6CCCCCCCCCCCC)[S]4CCCCCCCCCCCC)[S]5CCCCCCCCCCCC)[S]3CCCCCCCCCCCC
• Title of publication: One-step rapid synthesis of Ni₆(C₁₂H₂₅S)₁₂ nanoclusters for electrochemical sensing of ascorbic acid.
• Authors of publication: Zhuang, Zhihua; Chen, Wei
• Journal of publication: The Analyst
• Year of publication: 2020
• Journal volume: 145
• Journal issue: 7
• Pages of publication: 2621 - 2630
• a: 13.0353 ± 0.0006 Å
• b: 18.6391 ± 0.0009 Å
• c: 19.8731 ± 0.001 Å
• α: 108.331 ± 0.003°
• β: 108.152 ± 0.003°
• γ: 101.306 ± 0.003°
• Cell volume: 4117.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1673
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No