Information card for entry 4347470

Structure parameters

• Formula: C18 H24 Mo N2 O S4
• Calculated formula: C18 H24 Mo N2 O S4
• Title of publication: Tunable Molecular MoS2 Edge-Site Mimics for Catalytic Hydrogen Production.
• Authors of publication: Garrett, Benjamin R.; Polen, Shane M.; Click, Kevin A.; He, Mingfu; Huang, Zhongjie; Hadad, Christopher M.; Wu, Yiying
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3960 - 3966
• a: 17.2091 ± 0.0008 Å
• b: 9.5711 ± 0.0004 Å
• c: 26.2779 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4328.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No