Information card for entry 7019503

Structure parameters

• Formula: C24 H60 Ni6 S12
• Calculated formula: C24 H60 Ni6 S12
• SMILES: C(C)([S]1[Ni]23[S](C)[Ni]41[S](C)[Ni]1([S]4C(C)C)[S](C)[Ni]4([S](C)[Ni]5([S]4C(C)C)[S](C)[Ni]([S]5C(C)C)([S]2C)[S]3C(C)C)[S]1C(C)C)C
• Title of publication: In situ synthesis of nickel tiara-like clusters with two different thiolate bridges.
• Authors of publication: Tan, Chunhong; Jin, Meiliang; Ma, Xiao; Zhu, Qilong; Huang, Yihui; Wang, Yanlong; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8472 - 8476
• a: 9.827 ± 0.012 Å
• b: 12.125 ± 0.012 Å
• c: 12.34 ± 0.012 Å
• α: 118.865 ± 0.018°
• β: 92.29 ± 0.02°
• γ: 108.796 ± 0.012°
• Cell volume: 1185 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1298
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No