Information card for entry 1562894

Structure parameters

• Formula: C26 H16 Cl2 N2 O2 Os
• Calculated formula: C26 H16 Cl2 N2 O2 Os
• SMILES: [Os]1(Cl)(Cl)([n]2c3c(c(cc2)c2ccccc2)ccc2c(cc[n]1c32)c1ccccc1)(C#[O])C#[O]
• Title of publication: Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power
• Authors of publication: Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 4922 - 4930
• a: 6.961 ± 0.003 Å
• b: 19.454 ± 0.007 Å
• c: 16.217 ± 0.006 Å
• α: 90°
• β: 95.607 ± 0.008°
• γ: 90°
• Cell volume: 2185.6 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1337
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No