Information card for entry 1565222

Structure parameters

• Formula: C13 H28 In N3 S2 Se
• Calculated formula: C13 H28 In N3 S2 Se
• SMILES: C(=N[In]12([N](CC(C)(S1)C)(C)C)[N](CC(C)(C)S2)(C)C)=[Se]
• 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: 19.8009 ± 0.0005 Å
• b: 13.2812 ± 0.0003 Å
• c: 14.8388 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3902.3 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0139
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No