Information card for entry 7235538

Structure parameters

• Formula: C50 H104 Mo10 N8 O26 S16
• Calculated formula: C51 H106 Mo10 N8 O26 S16
• Title of publication: Layer-controlled synthesis of graphene-like MoS2 from single source organometallic precursor for Li-ion batteries
• Authors of publication: Guo, Jin; Chen, Xiao; Yi, Yanjiao; Li, Wenzhen; Liang, Changhai
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 32
• Pages of publication: 16716
• a: 12.2205 ± 0.0008 Å
• b: 30.1724 ± 0.0015 Å
• c: 13.0655 ± 0.0007 Å
• α: 90°
• β: 98.252 ± 0.003°
• γ: 90°
• Cell volume: 4767.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No