Information card for entry 2311560

Structure parameters

• Chemical name: Bromido(η^6^-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-\ 1-olato-κ^2^<i>O</i>,<i>O</i>')osmium
• Formula: C17 H19 Br O2 Os
• Calculated formula: C17 H19 Br O2 Os
• Title of publication: Crystal structure of bromido(η⁶-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-1-olato-κ²<i>O</i>,<i>O</i>')osmium.
• Authors of publication: Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 3
• Pages of publication: 275 - 277
• a: 11.1574 ± 0.0005 Å
• b: 14.6104 ± 0.0007 Å
• c: 10.8342 ± 0.0005 Å
• α: 90°
• β: 110.454 ± 0.002°
• γ: 90°
• Cell volume: 1654.78 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No