Information card for entry 4106896

Structure parameters

• Common name: eisbm05
• Formula: C28 H44 Co N S4
• Calculated formula: C28 H44 Co N S4
• SMILES: [Co]12(Sc3c(S2)cccc3)Sc2c(S1)cccc2.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: A Cobalt-Dithiolene Complex for the Photocatalytic and Electrocatalytic Reduction of Protons
• Authors of publication: William R. McNamara; Zhiji Han; Paul J. Alperin; William W. Brennessel; Patrick L. Holland; Richard Eisenberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15368 - 15371
• a: 16.324 ± 0.004 Å
• b: 19.559 ± 0.005 Å
• c: 18.516 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5912 ± 3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0877
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No