Information card for entry 7704640

Structure parameters

• Common name: (Egan)OsO
• Chemical name: (Oxo)(1,2-ethanedi-(2-(3,5-di-tert-butyl-2-oxyphenyl)amido)-benzoate)osmium(VI)
• Formula: C44 H52 N2 O7 Os
• Calculated formula: C44 H52 N2 O7 Os
• SMILES: [Os]123(=O)Oc4c(N1c1c(C(=O)OCCOC(=O)c5c(N3c3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)cccc5)cccc1)cc(cc4C(C)(C)C)C(C)(C)C
• Title of publication: High-valent osmium iminoxolene complexes.
• Authors of publication: Gianino, Jacqueline; Erickson, Alexander N.; Markovitz, Sean J.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8504 - 8515
• a: 13.0153 ± 0.0006 Å
• b: 13.1218 ± 0.0007 Å
• c: 14.0466 ± 0.0006 Å
• α: 105.229 ± 0.002°
• β: 104.496 ± 0.0019°
• γ: 108.18 ± 0.002°
• Cell volume: 2049.6 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No