Information card for entry 7042809

Structure parameters

• Formula: C44 H38 F6 N8 O13 Re2 S2
• Calculated formula: C44 H38 F6 N8 O13 Re2 S2
• Title of publication: Electrocatalytic Generation of H2 from Neutral Water in Acetonitrile Using Manganese Polypyridyl Complexes with Ligand Assistance
• Authors of publication: Richeson, Darrin; Rao, Gyandshwar Kumar; Jamshidi, Mohammad Parsa; Dawkins, Jeremy; Pell, Wendy; Korobkov, Ilia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.8249 ± 0.0014 Å
• b: 24.919 ± 0.002 Å
• c: 12.1149 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5079.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No