Information card for entry 7120046

Structure parameters

• Formula: C36 H28 Co P Se4
• Calculated formula: C36 H28 Co P Se4
• SMILES: c12c([Se][Co]3([Se]c4c(cccc4)[Se]3)[Se]2)cccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: H2 Evolution by a Cobalt Selenolate Electrocatalyst and Related Mechanistic Studies
• Authors of publication: Downes, Courtney A.; Yoo, Joseph W.; Orchanian, Nicholas M.; Haiges, Ralf; Marinescu, Smaranda C.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 16.1283 ± 0.0008 Å
• b: 12.1688 ± 0.0006 Å
• c: 16.358 ± 0.0008 Å
• α: 90°
• β: 96.567 ± 0.003°
• γ: 90°
• Cell volume: 3189.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No