Information card for entry 7713820

Structure parameters

• Common name: (A,R,R)-(Bdan)OsO . (C,R,R)-(Bdan)OsO
• Chemical name: (A,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium (C,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium cocrystal
• Formula: C92 H112 N4 O14 Os2
• Calculated formula: C92 H112 N4 O14 Os2
• Title of publication: Optically active bis(aminophenols) and their metal complexes
• Authors of publication: Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.7971 ± 0.0004 Å
• b: 13.0573 ± 0.0004 Å
• c: 25.72 ± 0.0008 Å
• α: 90°
• β: 95.8873 ± 0.0015°
• γ: 90°
• Cell volume: 4275 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No