Information card for entry 1563380

Structure parameters

• Formula: C8 H32 Cl2 In2 N8 S2
• Calculated formula: C8 H32 Cl2 In2 N8 S2
• SMILES: C1C[NH2][In]23([NH2]1)(S[In]14([NH2]CC[NH2]1)(S3)[NH2]CC[NH2]4)[NH2]CC[NH2]2.[Cl-].[Cl-]
• Title of publication: Zero- and one-dimensional thioindates synthesized under solvothermal conditions yielding α-In2S3, β-In2S3 or MgIn2S4 as thermal decomposition products
• Authors of publication: Quiroga-González, E.; Kienle, L.; Näther, C.; Chakravadhanula, V.S.K.; Lühmann, H.; Bensch, W.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 12
• Pages of publication: 2805 - 2812
• a: 6.4859 ± 0.0003 Å
• b: 11.1962 ± 0.0009 Å
• c: 14.2509 ± 0.0008 Å
• α: 90°
• β: 93.763 ± 0.006°
• γ: 90°
• Cell volume: 1032.63 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No