Information card for entry 4336149

Structure parameters

• Formula: C8 H26 As6 N6 Ni2 S6
• Calculated formula: C8 H26 As6 N6 Ni2 S6
• SMILES: [As]12[As]3S[As](S1)S[Ni]1423[As]2[As]1S[As](S2)S4.[Ni]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4
• Title of publication: Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes
• Authors of publication: Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10860 - 10868
• a: 11.0037 ± 0.0011 Å
• b: 14.7916 ± 0.0019 Å
• c: 16.6696 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2713.2 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No