Information card for entry 7220606

Structure parameters

• Formula: C10 H20 Ni5 S10
• Calculated formula: C10 H20 Ni5 S10
• SMILES: C1C[S]2[Ni]3456[S]1[Ni]1786[S]5CC[S]4[Ni]4523[S]2CC[S]4[Ni]3452[S]2CC[S]3[Ni]3842[S]1CC[S]73
• Title of publication: Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges
• Authors of publication: Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5110
• a: 10.906 ± 0.003 Å
• b: 14.095 ± 0.003 Å
• c: 14.294 ± 0.003 Å
• α: 90°
• β: 105.16 ± 0.012°
• γ: 90°
• Cell volume: 2120.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No