Information card for entry 7716096

Structure parameters

• Chemical name: In(HSEt)2NMe)NO
• Formula: C13 H16 F3 In N2 O S2
• Calculated formula: C13 H16 F3 In N2 O S2
• SMILES: [In]123(OC(=Cc4[n]2cccc4)C(F)(F)F)SCC[N]3(CCS1)C
• Title of publication: Synthesis and theoretical study of a mixed-ligand indium(III) complex for fabrication of β-In₂S₃ thin films <i>via</i> chemical vapor deposition.
• Authors of publication: Amadi, Chijioke Kingsley; Karimpour, Touraj; Jafari, Maziar; Peng, Zhiyuan; Van Gerven, David; Brune, Veronika; Hartl, Fabian; Siaj, Mohamed; Mathur, Sanjay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 9874 - 9886
• a: 11.1065 ± 0.0003 Å
• b: 13.0043 ± 0.0005 Å
• c: 22.9345 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3312.48 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No