Information card for entry 7027084

Structure parameters

• Formula: C15 H30 In N3 O3 S3
• Calculated formula: C15 H30 In N3 O3 S3
• SMILES: [In]123([S]=C(O1)N(CC)CC)([S]=C(O2)N(CC)CC)[S]=C(O3)N(CC)CC
• Title of publication: The synthesis and characterisation of tris(N, N ′-diethylmonothiocarbamato)indium(III) [In(SOCNEt2)3] and diethyl(N, N ′-diethylmonothiocarbamato)indium(III) [Et2In(SOCNEt2)]n: potential precursors for the growth of indium sulfide by low pressure metal organic chemical vapour deposition
• Authors of publication: Horley, Graeme A.; Chunggaze, Mohammed; O’Brien, Paul; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 24
• Pages of publication: 4205
• a: 9.588 ± 0.005 Å
• b: 9.74 ± 0.005 Å
• c: 13.79 ± 0.006 Å
• α: 80.46 ± 0.03°
• β: 78.58 ± 0.03°
• γ: 63.55 ± 0.03°
• Cell volume: 1125.8 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.0659
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No