Information card for entry 7124562

Structure parameters

• Common name: Os(DOPO)2
• Chemical name: Bis(2,4,6,8-tetra-tert-butyl-1,9-dioxophenoxazinato)osmium
• Formula: C56 H76 N2 O6 Os
• Calculated formula: C56 H76 N2 O6 Os
• Title of publication: Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence.
• Authors of publication: Cipressi, Jacqueline; Brown, Seth N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 59
• Pages of publication: 7956 - 7959
• a: 20.4119 ± 0.0019 Å
• b: 19.7938 ± 0.0019 Å
• c: 13.0487 ± 0.0012 Å
• α: 90°
• β: 90.374 ± 0.0015°
• γ: 90°
• Cell volume: 5271.9 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No