Information card for entry 7036141

Structure parameters

• Formula: C8 H26 As Er N6 S4
• Calculated formula: C8 H26 As Er N6 S4
• SMILES: [Er]12345(S[As](S1)(=S)[S-])([NH2]CC[NH]2CC[NH2]3)[NH2]CC[NH]4CC[NH2]5
• Title of publication: The first examples of 1-D organic hybrid lanthanoid thioarsenates based on two [As(V)S4](3-) linkage modes.
• Authors of publication: Zhao, Rong-Qing; Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Tan, Xiao-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6015 - 6022
• a: 8.9342 ± 0.0008 Å
• b: 15.4964 ± 0.0014 Å
• c: 25.966 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3594.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No