Information card for entry 7220607

Structure parameters

• Formula: C60 H132 Ni6 S12
• Calculated formula: C60 H132 Ni6 S12
• SMILES: C(CC(C)C)[S]1[Ni]23[S](CCC(C)C)[Ni]41[S](CCC(C)C)[Ni]1([S]4CCC(C)C)[S](CCC(C)C)[Ni]4([S](CCC(C)C)[Ni]5([S]4CCC(C)C)[S](CCC(C)C)[Ni]([S]5CCC(C)C)([S]2CCC(C)C)[S]3CCC(C)C)[S]1CCC(C)C
• 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: 10.7 ± 0.008 Å
• b: 14.844 ± 0.01 Å
• c: 15.567 ± 0.01 Å
• α: 66.82 ± 0.06°
• β: 75.32 ± 0.06°
• γ: 72.64 ± 0.06°
• Cell volume: 2143 ± 3 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: 0.1673
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No