Information card for entry 7208394

Structure parameters

• Formula: C48 H142 Cl2 Er6 N30 O4 S14 Sb4
• Calculated formula: C48 H138 Cl2 Er6 N30 O4 S14 Sb4
• SMILES: C1C[NH]2CC[NH]3CC[NH]4CC[NH2][Er]56234([S]2[Sb](S5)S[Er]34572([NH](CC[NH]5CC[NH]4CC[NH2]3)CC[NH2]7)O6)[NH2]1.O1[Er]2345(S[Sb](=S)([S-])[S-])([NH2]CC[NH]2CC[NH]3CC[NH]4CC[NH2]5)O[Er]23451(S[Sb](=S)([S-])[S-])[NH2]CC[NH]2CC[NH]3CC[NH]4CC[NH2]5.[Cl-].C1C[NH]2CC[NH]3CC[NH]4CC[NH2][Er]56234([NH2]1)O[Er]12347([NH2]CC[NH]1CC[NH]2CC[NH]3CC[NH2]7)[S]5[Sb](S6)S4.[Cl-]
• Title of publication: A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes
• Authors of publication: Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 5544
• a: 15.548 ± 0.003 Å
• b: 15.682 ± 0.003 Å
• c: 41.22 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10050 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No