Information card for entry 4336151

Structure parameters

• Formula: C24 H78 As6 Co3 N18 S12
• Calculated formula: C24 H78 As6 Co3 N18 S12
• SMILES: C1[NH]2CC[NH2][Co]342([NH2]C1)[NH2]CC[NH]3CC[NH2]4.[NH2]1[Co]234([NH2]CC[NH]2CC[NH2]4)[NH2]CC[NH]3CC1.S1[As](S[As](S[As]1[S-])[S-])[S-].C1C[NH]2CC[NH2][Co]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.S1[As](S[As](S[As]1[S-])[S-])[S-]
• 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: 19.014 ± 0.004 Å
• b: 8.6662 ± 0.0017 Å
• c: 18.243 ± 0.004 Å
• α: 90°
• β: 94.92 ± 0.03°
• γ: 90°
• Cell volume: 2995 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No