Information card for entry 4340958

Structure parameters

• Common name: eiswe15
• Formula: C22 H26 Mo N2 S4
• Calculated formula: C22 H26 Mo N2 S4
• Title of publication: Light-driven hydrogen production from aqueous protons using molybdenum catalysts.
• Authors of publication: Eckenhoff, William T.; Brennessel, William W.; Eisenberg, Richard
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9860 - 9869
• a: 17.005 ± 0.0019 Å
• b: 16.31 ± 0.0018 Å
• c: 9.3627 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2596.8 ± 0.5 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No