Information card for entry 4306279

Structure parameters

• Formula: C12 H36 I2 In2 N8 Te2
• Calculated formula: C12 H36 I2 In2 N8 Te2
• SMILES: C1C[NH]2CC[NH]3[In]42([NH2]1)([Te][In]125([NH2]CC[NH]1CC[NH]5CC[NH2]2)[Te]4)[NH2]CC3.[I-].[I-]
• Title of publication: Cationic Main-Group Metal Chalcogenide with a 1-D Polymeric Structure, [{In(dien)}2(InTe4)].Cl
• Authors of publication: Chun-Ying Li; Xiao-Xia Chen; Jian Zhou; Qin-Yu Zhu; Zhi-Xin Lei; Yong Zhang; Jie Dai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8586 - 8588
• a: 17.889 ± 0.005 Å
• b: 14.204 ± 0.004 Å
• c: 12.502 ± 0.004 Å
• α: 90°
• β: 122.94 ± 0.005°
• γ: 90°
• Cell volume: 2666 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No