Information card for entry 1562893

Structure parameters

• Formula: C25 H28 Cl N O2 Os
• Calculated formula: C25 H28 Cl N O2 Os
• SMILES: [Os]123456(Cl)([N](=Cc7c6cc(OC)cc7)c6ccc(OC)cc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
• 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: 9.4652 ± 0.0009 Å
• b: 9.6082 ± 0.0009 Å
• c: 24.647 ± 0.003 Å
• α: 90°
• β: 90.999 ± 0.003°
• γ: 90°
• Cell volume: 2241.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No