Information card for entry 7213025

Structure parameters

• Formula: C21 H42 In N3 O3 S3
• Calculated formula: C21 H42 In N3 O3 S3
• SMILES: [In]123([S]=C(O1)N(C(C)C)C(C)C)([S]=C(O2)N(C(C)C)C(C)C)[S]=C(O3)N(C(C)C)C(C)C
• Title of publication: Deposition of tetragonal β-In2S3 thin films from tris(N,N-diisopropylmonothiocarbamato)indium(III), In(SOCNiPr2)3, by low pressure metal-organic chemical vapour deposition
• Authors of publication: Horley, Graeme A.; O'Brien, Paul; Park, Jin-Ho; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1289
• a: 10.716 ± 0.002 Å
• b: 12.652 ± 0.002 Å
• c: 12.832 ± 0.004 Å
• α: 89.17 ± 0.02°
• β: 66.16 ± 0.02°
• γ: 66.034 ± 0.011°
• Cell volume: 1430.6 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.0944
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No