Information card for entry 7023136

Structure parameters

• Common name: In(BzMedtc)3
• Formula: C27 H30 In N3 S6
• Calculated formula: C27 H30 In N3 S6
• SMILES: [In]123(SC(=[S]1)N(Cc1ccccc1)C)([S]=C(S2)N(Cc1ccccc1)C)SC(=[S]3)N(Cc1ccccc1)C
• Title of publication: Development of molecular precursors for deposition of indium sulphide thin film electrodes for photoelectrochemical applications.
• Authors of publication: Ehsan, Muhammad Ali; Peiris, T. A. Nirmal; Wijayantha, K. G. Upul; Olmstead, Marilyn M.; Arifin, Zainudin; Mazhar, Muhammad; Lo, K. M.; McKee, Vickie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10919 - 10928
• a: 9.7966 ± 0.0004 Å
• b: 12.2791 ± 0.0008 Å
• c: 12.779 ± 0.0008 Å
• α: 96.142 ± 0.004°
• β: 92.353 ± 0.004°
• γ: 100.383 ± 0.005°
• Cell volume: 1500.51 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No