Information card for entry 4131006

Structure parameters

• Formula: C26 H48 Mo2 N6 O7 S8
• Calculated formula: C26 H48 Mo2 N6 O7 S8
• Title of publication: [MoO(S₂)₂L]^1- (L = picolinate or pyrimidine-2-carboxylate) Complexes as MoS_x-Inspired Electrocatalysts for Hydrogen Production in Aqueous Solution.
• Authors of publication: Garrett, Benjamin R.; Click, Kevin A.; Durr, Christopher B.; Hadad, Christopher M.; Wu, Yiying
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 41
• Pages of publication: 13726 - 13731
• a: 8.4175 ± 0.0005 Å
• b: 10.6899 ± 0.0007 Å
• c: 22.6411 ± 0.0014 Å
• α: 90°
• β: 95.127 ± 0.002°
• γ: 90°
• Cell volume: 2029.1 ± 0.2 ų
• Cell temperature: 189 ± 2 K
• Ambient diffraction temperature: 189 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No