Information card for entry 1565223

Structure parameters

• Formula: C12 H28 Cl In N2 S2
• Calculated formula: C12 H28 Cl In N2 S2
• SMILES: [In]12(Cl)(SC(C[N]1(C)C)(C)C)SC(C[N]2(C)C)(C)C
• Title of publication: Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides
• Authors of publication: Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 505
• Pages of publication: 119504
• a: 10.559 ± 0.0002 Å
• b: 11.094 ± 0.0002 Å
• c: 15.2071 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781.38 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0127
• Residual factor for significantly intense reflections: 0.0126
• Weighted residual factors for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No