Information card for entry 4347471

Structure parameters

• Formula: C19 H20 Mo N2 O3 S4
• Calculated formula: C19 H20 Mo N2 O3 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: 15.293 ± 0.0002 Å
• b: 10.7524 ± 0.0001 Å
• c: 14.7693 ± 0.0001 Å
• α: 90°
• β: 116.144 ± 0.001°
• γ: 90°
• Cell volume: 2180.14 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No