Information card for entry 7023134

Structure parameters

• Common name: In(S2CNCy2)3.2py
• Formula: C49 H76 In N5 S6
• Calculated formula: C49 H76 In N5 S6
• 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: 10.5733 ± 0.0002 Å
• b: 22.1491 ± 0.0006 Å
• c: 22.3726 ± 0.0006 Å
• α: 90°
• β: 91.804 ± 0.002°
• γ: 90°
• Cell volume: 5236.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No